SCHEMBL4231973

SCHEMBL4231973

C=CC(=O)OC(CC[SiH](OCC)OCC)OC(=O)C=C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL4226054 0.87 TSHR (0.39) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL5605423 0.85 TSHR (0.37) TSHRHPGD
SCHEMBL4236579 0.84 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4
SCHEMBL28211234 0.84 TSHR (0.36) TSHRHPGD
SCHEMBL4225957 0.83 TSHR (0.36) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL28040313 0.81 TSHR (0.32) TSHR
SCHEMBL15536651 0.79 TSHR (0.38) TSHRHPGDALDH1A1
SCHEMBL4222599 0.77 THRB (0.36) TSHRALDH1A1
SCHEMBL28717800 0.76 TSHR (0.35) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL544590 0.76 TSHR (0.45) TSHRHPGDALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263631-A1 FILM FORMING COMPOSITION FOR NANOIMPRINTING AND METHOD FOR PATTERN FORMATION TOKYO OHKA KOGYO CO., LTD. (JP) 2009-10-22 US disclosed