SCHEMBL8765718

SCHEMBL8765718

CCCCC[CH]OOC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
FAAH O00519 3/20 0.32
TRPV1 Q8NER1 1/20 0.32
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8765588 0.98 TSHR (0.39) TSHRFAAHTRPV1GMNNUSP2
SCHEMBL8765092 0.83 TSHR (0.35) TSHRTDP1
SCHEMBL1405724 0.76 TSHR (0.39) TSHRFAAHTRPV1GMNNUSP2
Hexane SCHEMBL28091337 0.74 TSHR (0.37) TSHRFAAHTRPV1TDP1THRB
SCHEMBL4498202 0.74 TSHR (0.42) TSHRFAAHTRPV1GMNNUSP2
SCHEMBL4506940 0.74 TSHR (0.42) TSHRFAAHTRPV1GMNNUSP2
SCHEMBL2152771 0.74 TSHR (0.42) TSHRFAAHTRPV1GMNNUSP2
SCHEMBL4505586 0.74 TSHR (0.42) TSHRFAAHTRPV1GMNNUSP2
SCHEMBL4493952 0.74 TSHR (0.42) TSHRFAAHTRPV1GMNNUSP2
SCHEMBL4501230 0.74 TSHR (0.42) TSHRFAAHTRPV1GMNNUSP2

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-3112413-B1 RADIATION PRE-CROSSLINKED POLYOLEFIN ADHESIVE FILM, PREPARATION METHOD THEREFOR, ENCAPSULATING METHOD AND ASSEMBLY WITH SAME SHANGHAI HIUV NEW MAT CO LTD (CN) 2021-09-15 EP claimed
EP-0785964-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1997-07-30 EP disclosed
WO-1996011970-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed