SCHEMBL272419

SCHEMBL272419

CC[N+](CC)(CC)CCCO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.52
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.41
NFKB1 P19838 1/20 0.41
KCNA1 Q09470 1/20 0.41
SLC22A1 O15245 3/20 0.40
SLC22A2 O15244 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PMP22 Q01453 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Water SCHEMBL319990 0.97 DNM1 (0.50) DNM1ALDH1A1TSHRNFKB1KCNA1
Hydrochloric Acid SCHEMBL14734829 0.97 DNM1 (0.50) DNM1ALDH1A1TSHRNFKB1KCNA1
Bromide SCHEMBL7214859 0.97 DNM1 (0.55) DNM1ALDH1A1TSHRNFKB1KCNA1
Iodide SCHEMBL14777716 0.97 DNM1 (0.50) DNM1ALDH1A1TSHRNFKB1KCNA1
Hydrochloric Acid SCHEMBL27408052 0.94 DNM1 (0.48) DNM1ALDH1A1TSHRNFKB1KCNA1
SCHEMBL11706247 0.94 DNM1 (0.46) DNM1ALDH1A1TSHRNFKB1KCNA1
Water SCHEMBL3308247 0.91 DNM1 (0.43) DNM1ALDH1A1TSHRNFKB1KCNA1
SCHEMBL1686201 0.91 DNM1 (0.57) DNM1ALDH1A1TSHRSLC22A1SLC22A2
Hydrochloric Acid SCHEMBL9003642 0.89 DNM1 (0.44) DNM1ALDH1A1TSHRNFKB1KCNA1
Water SCHEMBL3307120 0.88 DNM1 (0.55) DNM1ALDH1A1TSHRSLC22A1SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239755-B Polyisocyanate composition with high reactivity and preparation method thereof 万华化学集团股份有限公司 2025-05-13 CN claimed
US-20250082561-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-03-13 US claimed
CN-119591835-A Dual-curing type polyisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2025-03-11 CN claimed
CN-118290697-A Hydrogenated xylylene diisocyanate composition and preparation method thereof 万华化学集团股份有限公司 2024-07-05 CN claimed
CN-118146486-A Polyisocyanate composition containing isocyanurate structure with low color number, and preparation method and application thereof 万华化学集团股份有限公司 2024-06-07 CN claimed
EP-4370561-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS Givaudan SA (CH) 2024-05-22 EP claimed
CN-117693533-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2024-03-12 CN claimed
EP-3481787-B1 HALOGEN-FREE QUATERNARY AMINIES AND USES THEREOF HUNTSMAN PETROCHEMICAL LLC (US) 2024-02-28 EP claimed
CN-117209700-A Modified polyisocyanate composition, preparation method thereof and varnish 万华化学集团股份有限公司 2023-12-12 CN claimed
CN-116239755-A Polyisocyanate composition with high reactivity and preparation method thereof 万华化学集团股份有限公司 2023-06-09 CN claimed
WO-2023285663-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2023-01-19 WO claimed
US-11542199-B2 Halogen-free quaternary amines and uses thereof HUNTSMAN PETROCHEMICAL LLC (US) 2023-01-03 US claimed
CN-108698927-B Halogen-free quaternary amines and their use 亨斯迈石油化学有限责任公司 2022-08-09 CN claimed
CN-114057991-A Fast-curing polyisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2022-02-18 CN claimed
US-20210292552-A1 Functionalized Polyacrylate Polymer Compositions HUNTSMAN INTERNATIONAL LLC 2021-09-23 US claimed
EP-3548446-A1 FUNCTIONALIZED POLYACRYLATE POLYMER COMPOSITIONS Huntsman International LLC (US) 2019-10-09 EP claimed
CN-110291057-A Functionalized polyacrylic polymer compositions 亨茨曼国际有限公司 2019-09-27 CN claimed
US-20190112229-A1 HALOGEN-FREE QUATERNARY AMINES AND USES THEREOF HUNTSMAN PETROCHEMICAL LLC 2019-04-18 US claimed
CN-108698927-A Halogen-free quaternary amines and their use 亨斯迈石油化学有限责任公司 2018-10-23 CN claimed
EP-0122151-B1 PRODUCTION OF PRIMARY OR SECONDARY ALCOHOL DERIVATIVES OF PHOSPHOLIPIDS BY THE ENZYMATIC TECHNIQUE MEITO SANGYO KABUSHIKI KAISHA (JP) 1989-02-15 EP claimed

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

For each of this compound's patents that has machine-readable text (1 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-20250082561-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS CD44, CA4, HPSE DNM1 3943/4885ALDH1A1 669/4885TSHR 4607/4885

“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.