SCHEMBL4924867

SCHEMBL4924867

CC(C)(C)COC(=O)/C=C/C(=O)O.[KH]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 14/20 0.57
TSHR P16473 2/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4926884 1.00 HCAR2 (0.57) HCAR2TSHRATMTP53EGLN1
SCHEMBL6061014 0.98 HCAR2 (0.59) HCAR2TSHRATMTP53EGLN1
SCHEMBL6061013 0.98 HCAR2 (0.59) HCAR2TSHRATMTP53EGLN1
SCHEMBL9239993 0.98 HCAR2 (0.59) HCAR2TSHRATMTP53EGLN1
SCHEMBL5611325 0.89 HCAR2 (0.44) HCAR2ATMTP53ALDH1A1MAPT
SCHEMBL8085681 0.89 HCAR2 (0.44) HCAR2ATMTP53ALDH1A1MAPT
SCHEMBL5611334 0.89 HCAR2 (0.44) HCAR2ATMTP53ALDH1A1MAPT
SCHEMBL26362994 0.82 HCAR2 (0.55) HCAR2TSHRATMTP53EGLN1
SCHEMBL16657264 0.81 HCAR2 (0.56) HCAR2ATMTP53ALDH1A1KDM4E
SCHEMBL27979526 0.81 HCAR2 (0.59) HCAR2ATMALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312351-A1 Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-12-18 US claimed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP claimed
US-20080312351-A1 Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-12-18 US disclosed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP disclosed