SCHEMBL9013075

SCHEMBL9013075

CC(C)(C)C(Cl)=C(C#N)C#N

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL11765472 0.71
SCHEMBL3142369 0.71 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL7715393 0.71 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL13609759 0.69 TSHR (0.33) TSHR
SCHEMBL7713461 0.69
SCHEMBL444510 0.67 TDP1 (0.35) ALDH1A1TSHR
SCHEMBL9901551 0.67 TDP1 (0.35)
SCHEMBL11940286 0.67
SCHEMBL7713014 0.65
SCHEMBL13397216 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751865-B2 Dihydro-hydantoin derivatives with herbicidal activity SYNGENTA LIMITED (GB) 2017-09-05 US disclosed
US-9751865-B2 Dihydro-hydantoin derivatives with herbicidal activity SYNGENTA LIMITED (GB) 2017-09-05 US disclosed
US-9751865-B2 Dihydro-hydantoin derivatives with herbicidal activity SYNGENTA LIMITED (GB) 2017-09-05 US disclosed
US-20160318906-A1 DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY SYNGENTA LIMITED (GB) 2016-11-03 US disclosed
US-20160318906-A1 DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY SYNGENTA LIMITED (GB) 2016-11-03 US disclosed
US-20160318906-A1 DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY SYNGENTA LIMITED (GB) 2016-11-03 US disclosed
EP-3087066-A1 DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY Syngenta Participations AG (CH) 2016-11-02 EP disclosed
US-20160168126-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-16 US disclosed
US-20160168126-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-16 US disclosed
US-20160168126-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-16 US disclosed
WO-2015097043-A1 DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2015-07-02 WO disclosed
WO-2015018434-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 WO disclosed
WO-2015018434-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 WO disclosed
EP-0492444-B1 Novel synthesis of pyrazole dyes EASTMAN KODAK CO (US) 1996-11-27 EP disclosed
EP-0484814-B1 Magenta pyrazolylazoaniline dye-donor element for thermal dye transfer EASTMAN KODAK CO (US) 1994-09-07 EP disclosed
US-5144015-A Diazotization, salt formation, coupling, and alkylation to form 1-alkyl-3-alkyl or aryl-4-cyanopyrazol-5-yl azo dye EASTMAN KODAK COMPANY (US) 1992-09-01 US disclosed
EP-0492444-A1 Novel synthesis of pyrazole dyes EASTMAN KODAK COMPANY (US) 1992-07-01 EP disclosed
EP-0484814-A1 Magenta pyrazolylazoaniline dye-donor element for thermal dye transfer EASTMAN KODAK COMPANY (US) 1992-05-13 EP disclosed
US-5079213-A Magenta pyrazolylazoaniline dye-donor element for thermal dye transfer EASTMAN KODAK COMPANY (US) 1992-01-07 US disclosed
US-4032322-A ISOTHIAZOLYLFORMAMIDINE DERIVATIVES AS HERBICIDES GIBBONS LOREN KENNETH 1977-06-28 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 (2 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-20160168126-A1 CHEMICAL COMPOUNDS RDX, CBR3, RRS1 ALDH1A1 326/4885TSHR 484/4885
US-20160318906-A1 DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY RDX, DDT, CBR3 ALDH1A1 96/4885TSHR 1339/4885

“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.