SCHEMBL23346052

SCHEMBL23346052

CC1CCC(c2ccc(-c3ccc(F)s3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 4/20 0.33
▸ FEN1 P39748 4/20 0.33
▸ ESR2 Q92731 1/20 0.31

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
SCHEMBL9970220 0.88 CHRM2 (0.36) ALOX5APFEN1
SCHEMBL22872108 0.85 PDE3B (0.31) ALOX5APFEN1
SCHEMBL19754822 0.84 ESR2 (0.38) ALOX5APFEN1ESR2
SCHEMBL12437063 0.84 ESR2 (0.38) ALOX5APFEN1ESR2
SCHEMBL172422 0.84 ESR2 (0.38) ALOX5APFEN1ESR2
SCHEMBL12719836 0.80 ESR2 (0.43) ALOX5APFEN1ESR2
SCHEMBL21919335 0.78 FEN1 (0.40) ALOX5APFEN1
SCHEMBL21919333 0.78 FEN1 (0.40) ALOX5APFEN1
SCHEMBL18754178 0.78 FEN1 (0.40) ALOX5APFEN1
SCHEMBL18440875 0.78 FEN1 (0.40) ALOX5APFEN1

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-20210139779-A1 Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-05-13 — — US disclosed
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