SCHEMBL5085109

SCHEMBL5085109

C=C(C(=O)O)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TET2 Q6N021 2/20 0.40
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
ACLY P53396 3/20 0.37
CPT2 P23786 1/20 0.35
SLC13A5 Q86YT5 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
SCHEMBL95160 0.79 ALDH1A1 (0.58) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL27466021 0.76 ALDH1A1 (0.55) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL9495447 0.76 TET2 (0.40) ALDH1A1TET2TSHR
SCHEMBL2099199 0.75 ALDH1A1 (0.48) ALDH1A1TET2HMGCRCHRM1TBXA2R
SCHEMBL7127403 0.73 ALDH1A1 (0.46) ALDH1A1TET2HMGCRCHRM1TBXA2R
SCHEMBL28555973 0.73 ALDH1A1 (0.46) ALDH1A1TET2HMGCRCHRM1TBXA2R
SCHEMBL10032901 0.73 ALDH1A1 (0.41) ALDH1A1TET2HMGCRCHRM1TBXA2R
SCHEMBL9507919 0.73 TET2 (0.38) ALDH1A1TET2TSHR
SCHEMBL27554101 0.71 ALDH1A1 (0.44) ALDH1A1TET2HMGCRCHRM1TBXA2R
SCHEMBL8033834 0.71 SMN1; SMN2 (0.48) ALDH1A1CYP2C19HIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119790055-A Pyrazolopyrimidine compound and medical use thereof 日本烟草产业株式会社 2025-04-08 CN disclosed
CN-119365445-A Dihydrooxadiazinon compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2025-01-24 CN disclosed
CN-113490492-B Amorphous solid dispersion of pyrazole amide compound 日本烟草产业株式会社 2024-09-27 CN disclosed
CN-111741947-B 4-Methyldihydropyrimidinone compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2024-06-11 CN disclosed
CN-117897382-A Nitrogen-containing tricyclic compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2024-04-16 CN disclosed
CN-117881682-A 6-amino pyrazolopyrimidine compound and medical application thereof 日本烟草产业株式会社 2024-04-12 CN disclosed
CN-111902408-B Heteroaryl substituted pyrazole compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2023-11-14 CN disclosed
CN-111741948-B Saturated ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof 日本烟草产业株式会社 2023-11-10 CN disclosed
CN-112135615-B Therapeutic or prophylactic agent for nephrotic syndrome comprising indole compound 日本烟草产业株式会社 2023-10-31 CN disclosed
CN-111757877-B Methyllactam ring compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2023-10-27 CN disclosed
CN-116419919-A Subcutaneous and intramuscular administration of pyrazine compounds 麦迪贝肯有限公司 2023-07-11 CN disclosed
CN-111481218-B System and method for home transdermal GFR monitoring 麦迪贝肯有限公司 2023-04-28 CN disclosed
EP-3964536-A1 POLYOXAZOLIDINONE INTERMEDIATE CONTAINING AN ANTIOXIDANT BASF SE (DE) 2022-03-09 EP disclosed
CN-106232585-B Triaizine compounds and its medicinal usage 日本烟草产业株式会社 2019-04-02 CN disclosed
CN-108137515-A Hydroxy triazine compound and medical use thereof 日本烟草产业株式会社 2018-06-08 CN disclosed
CN-106232585-A Triaizine compounds and its medicinal usage 日本烟草产业株式会社 2016-12-14 CN disclosed
CN-101421391-A High yield activation of polymer surfaces for covalent attachment of molecules UNIV PRINCETON (US) 2009-04-29 CN disclosed
US-7335411-B2 Method of producing a tire composition having improved silica reinforcement BRIDGESTONE CORPORATION (JP) 2008-02-26 US disclosed
US-20060089446-A1 Method of producing a tire composition having improved silica reinforcement BRIDGESTONE CORPORATION 2006-04-27 US disclosed
WO-1995021841-A1 1-β-METHYL-CARBAPENEM, COMPOSITIONS CONTAINING SAME AND METHODS OF USE MERCK & CO., INC. (US) 1995-08-17 WO disclosed