SCHEMBL9698734

SCHEMBL9698734

CCCCCCCCCC[CH]C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
FAAH O00519 11/20 0.44
CES1 P23141 6/20 0.44
THRB P10828 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
DNM1 Q05193 3/20 0.39
CES2 O00748 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL50107 1.00 TSHR (0.46) TSHRFAAHCES1THRBTRPV1
SCHEMBL2679887 1.00 TSHR (0.46) TSHRFAAHCES1THRBTRPV1
SCHEMBL6939659 1.00 TSHR (0.46) TSHRFAAHCES1THRBTRPV1
SCHEMBL6932074 1.00 TSHR (0.46) TSHRFAAHCES1THRBTRPV1
SCHEMBL5960841 1.00 TSHR (0.46) TSHRFAAHCES1THRBTRPV1
SCHEMBL27737023 1.00 TSHR (0.46) TSHRFAAHCES1THRBTRPV1
SCHEMBL981371 0.97 TSHR (0.42) TSHRFAAHCES1THRBTRPV1
SCHEMBL50560 0.89
SCHEMBL6934486 0.83 CES1 (0.47) TSHRFAAHCES1THRBCES2
SCHEMBL6934662 0.83 CES1 (0.47) TSHRFAAHCES1THRBCES2

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-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed
EP-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP disclosed