Tetrapropylammonium

Tetrapropylammonium

SCHEMBL5200853

CCC[N+](CCC)(CCC)CCC.[SH-]

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC22A1 O15245 4/20 0.91
▸ SLC22A2 O15244 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ DNM1 Q05193 7/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tetrapropylammonium SCHEMBL59838 0.95 SLC22A1 (1.00) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrapropylammonium SCHEMBL5490456 0.95 SLC22A1 (1.00) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrapropylammonium SCHEMBL5430846 0.91 SLC22A1 (0.91) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrapropylammonium SCHEMBL9262304 0.91 SLC22A1 (0.91) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrapropylammonium SCHEMBL3892260 0.91 SLC22A1 (0.91) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrapropylammonium SCHEMBL2723643 0.91 SLC22A1 (0.91) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrapropylammonium SCHEMBL2723645 0.91 SLC22A1 (0.91) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrapropylammonium SCHEMBL6658470 0.91 SLC22A1 (0.91) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrapropylammonium SCHEMBL4552588 0.91 SLC22A1 (0.91) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrapropylammonium SCHEMBL9302417 0.91 SLC22A1 (0.91) SLC22A1SLC22A2ALDH1A1TP53CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013808-B1 ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-04-15 — — EP disclosed
EP-3013807-B1 NAPHTHYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-04-08 — — EP disclosed
CN-105473584-B Thiophene-or furan-substituted isothiazoline compounds 勃林格殷格翰动物保健美国公司 2020-01-31 — — CN disclosed
US-10327446-B2 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-06-25 — — US disclosed
EP-2794601-B1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2019-02-20 — — EP disclosed
EP-3013822-B1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES MERIAL INC (US) 2017-11-01 — — EP disclosed
US-9732051-B2 Isothiazoline compounds for combating invertebrate pests BASF SE (DE) 2017-08-15 — — US disclosed
US-20160374342-A1 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds MERIAL, INC. (US) 2016-12-29 — — US disclosed
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides MERIAL, INC. (US) 2016-10-13 — — US disclosed
US-20160145223-A1 Bicyclyl-Substituted Isothiazoline Compounds BASF SE (DE) 2016-05-26 — — US disclosed
WO-2014206910-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2014-12-31 — — WO disclosed
WO-2014206911-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2014-12-31 — — WO disclosed
WO-2014206908-A1 ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP BASF SE (DE) 2014-12-31 — — WO disclosed
WO-2014206907-A1 NAPHTHYL- OR ISOQUINOLINYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2014-12-31 — — WO disclosed
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests BASF SE (DE) 2014-12-11 — — US disclosed
EP-2794601-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2014-10-29 — — EP disclosed
WO-2013092943-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-06-27 — — WO disclosed
EP-1434758-B1 AMINONITRILE PRODUCTION INVISTA TECH SARL (US) 2007-08-22 — — EP disclosed
EP-1816120-A1 Aminonitrile production INVISTA Technologies S.à.r.l. (US) 2007-08-08 — — EP disclosed
US-6455723-B1 Aminonitrile production E. I. DU PONT DE NEMOURS AND COMPANY 2002-09-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160145223-A1 Bicyclyl-Substituted Isothiazoline Compounds BROX, TUBA3C, SYMPK SLC22A1 2757/4885SLC22A2 2984/4885ALDH1A1 2335/4885
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides PTMS, DDT, PIR SLC22A1 2913/4885SLC22A2 3241/4885ALDH1A1 1576/4885
US-20160374342-A1 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds IPO5, SNX1, IPO9 SLC22A1 4018/4885SLC22A2 4005/4885ALDH1A1 3018/4885
US-10327446-B2 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds IPO5, SNX1, IPO9 SLC22A1 4018/4885SLC22A2 4005/4885ALDH1A1 3018/4885
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests PIR, ACHE, INMT SLC22A1 3270/4885SLC22A2 3493/4885ALDH1A1 2079/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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