SCHEMBL5175016

SCHEMBL5175016

C=C(C)C(=O)OCC(CCl)OP(=O)(O)OC(CCl)COC(=O)C(=C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.35
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL766999 0.90 TSHR (0.49) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2638629 0.90 TSHR (0.55) TSHRALDH1A1THRB
SCHEMBL10908446 0.89 TSHR (0.50) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2916918 0.85 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL134372 0.80 TSHR (0.55) TSHRALDH1A1THRB
SCHEMBL19680511 0.78 TSHR (0.63) TSHRALDH1A1THRB
SCHEMBL9818660 0.78 TSHR (0.53) TSHRALDH1A1THRBTDP1
SCHEMBL3004876 0.78 TSHR (0.53) TSHRALDH1A1THRB
SCHEMBL12572340 0.77 FABP3 (0.45) TSHRTHRB
SCHEMBL11475397 0.77 TSHR (0.52) TSHRALDH1A1THRB

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-1462079-B1 Dental composition G C DENTAL IND CORP (JP) 2007-05-23 EP disclosed
US-20040254261-A1 Dental composition GC CORPORATION (JP) 2004-12-16 US disclosed
EP-1462079-A1 Dental composition GC Corporation (JP) 2004-09-29 EP disclosed