SCHEMBL28627374

SCHEMBL28627374

Cc1cccc(C(CC2CO2)(CC2CO2)C(CC2CO2)CC2CO2)c1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL28897220 0.73 MEN1 (0.39) ALDH1A1GLA
SCHEMBL27922607 0.71 TAS1R3 (0.34) TRPA1ATM
SCHEMBL7934195 0.68 ESR1 (0.32) ALDH1A1
SCHEMBL27749189 0.67 ALDH1A1 (0.38) HTR2CHTR2AHTR2BALDH1A1GLA
SCHEMBL29530041 0.65 MEN1 (0.35) HTR2BALDH1A1GLA
SCHEMBL3415653 0.65 ALDH1A1 (0.36) ALDH1A1GLA
SCHEMBL28997222 0.64 ALDH1A1 (0.41) HTR2CHTR2AHTR2BALDH1A1GLA
SCHEMBL6577504 0.62 ALDH1A1 (0.55) HTR2CHTR2AHTR2BALDH1A1GLA
SCHEMBL14248992 0.62 ALDH1A1 (0.42) HTR2CHTR2AHTR2BALDH1A1GLA
SCHEMBL2466622 0.62 MEN1 (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113316744-B Oxime ester photoinitiators with special aroyl chromophores 巴斯夫欧洲公司 2024-07-30 CN disclosed
CN-110337458-B Curable composition, electronic component, and method for producing electronic component 积水化学工业株式会社 2022-12-27 CN disclosed
CN-113316744-A Oxime ester photoinitiators with specific aroyl chromophores 巴斯夫欧洲公司 2021-08-27 CN disclosed