SCHEMBL6403288

SCHEMBL6403288

CCCCCCCCOc1cccc(OB(O)Oc2cccc(OCCCCCCCC)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
PLA2G4B P0C869 4/20 0.55
SMPD1 P17405 3/20 0.54
GGPS1 O95749 2/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
NR5A1 Q13285 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
PLA2G2A P14555 1/20 0.47
LTA4H P09960 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL6398498 0.93 PLA2G4B (0.50) TSHRPLA2G4BSMPD1THRBGPBAR1
SCHEMBL6404654 0.90 TSHR (0.59) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL6403931 0.87 TSHR (0.63) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL6677146 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL17138159 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL16699620 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL3905859 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL4208924 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL17138169 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL27882949 0.84 PLA2G4B (0.46) TSHRPLA2G4BSMPD1THRBGPBAR1

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
EP-1454921-B1 RADICAL POLYMERIZATION CATALYSTS AND ADHESIVE KIT FOR DENTAL USE TOKUYAMA CORP (JP) 2021-07-28 EP disclosed
US-20050009946-A1 Radical polymerization catalyst and adhesive kit for dental use TOKUYAMA CORPORATION (JP) 2005-01-13 US disclosed
EP-1454921-A1 RADICAL POLYMERIZATION CATALYSTS AND ADHESIVE KIT FOR DENTAL USE Tokuyama Corporation (JP) 2004-09-08 EP disclosed