SCHEMBL8083853

SCHEMBL8083853

O=C(OC(CCCCCOCCF)C(F)(F)F)c1ccc(O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
POLB P06746 1/20 0.32
SERPINE1 P05121 1/20 0.32
APP P05067 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
ESRRG P62508 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
SCHEMBL8083855 1.00 CA12 (0.33) CA12CA1CA2CA7CA9
SCHEMBL6933707 0.89 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL8081657 0.89 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL8821926 0.87 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL8088727 0.85 RARA (0.34) RARARARB
SCHEMBL8088730 0.85 RARA (0.34) RARARARB
SCHEMBL8107467 0.84 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL8107463 0.84 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL9745293 0.84 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL9125115 0.84 ALDH1A1 (0.40) CA12CA1CA2CA7CA9

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-0855383-B1 Anti-ferroelectric liquid crystal compounds MITSUBISHI GAS CHEMICAL CO (JP) 2000-10-25 EP disclosed
US-5968413-A FLUORINE SUBSTITUTED ETHOXY-ALKYLOXYCARBONYLPHENYL-4-(4*-ALKYLOXYBIPHENY) CARBOXYLATE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-10-19 US disclosed
EP-0855383-A2 Anti-ferroelectric liquid crystal compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-07-29 EP disclosed