SCHEMBL9627896

SCHEMBL9627896

C=CC(=O)OC(C)CCCO[SiH](OCCCC)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
HPGD P15428 1/20 0.47
FAAH O00519 5/20 0.36
THRB P10828 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.33
THRA P10827 1/20 0.33
CYP3A4 P08684 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
NAAA Q02083 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
SCHEMBL185499 0.84 TSHR (0.53) TSHRHPGDFAAHTHRBCNR1
SCHEMBL28019194 0.84 TSHR (0.46) TSHRHPGDFAAHTHRBCNR1
SCHEMBL29143535 0.82 TSHR (0.51) TSHRHPGDFAAHTHRBCNR1
Ethylene SCHEMBL28845826 0.82 TSHR (0.51) TSHRHPGDFAAHTHRBCNR1
SCHEMBL991328 0.82 FAAH (0.50) TSHRHPGDFAAHTHRBCNR1
SCHEMBL11030271 0.82 TSHR (0.69) TSHRHPGDFAAHTHRBCNR1
SCHEMBL2838394 0.81 FAAH (0.53) TSHRHPGDFAAHTHRBCNR1
SCHEMBL5146586 0.81 FAAH (0.53) TSHRHPGDFAAHTHRBCNR1
SCHEMBL5072994 0.81 FAAH (0.53) TSHRHPGDFAAHTHRBCNR1
SCHEMBL2316134 0.81 FAAH (0.53) TSHRHPGDFAAHTHRBCNR1

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
EP-0226387-B1 COATING RESIN COMPOSITION Hitachi Chemical Co., Ltd. (JP) 1992-03-04 EP claimed
US-4795785-A CHLORINATED OLEFIN, UNSATURATED ORGANIC SILANE COMPOUND, (METH)ACRYLATE POLYMER HITACHI CHEMICAL COMPANY, LTD. (JP) 1989-01-03 US claimed
EP-0226387-B1 COATING RESIN COMPOSITION Hitachi Chemical Co., Ltd. (JP) 1992-03-04 EP disclosed
US-4795785-A CHLORINATED OLEFIN, UNSATURATED ORGANIC SILANE COMPOUND, (METH)ACRYLATE POLYMER HITACHI CHEMICAL COMPANY, LTD. (JP) 1989-01-03 US disclosed