SCHEMBL22630071

SCHEMBL22630071

CCCCCc1ccc(-c2cc3ccc(SCCC(F)(F)OC(F)(F)OC(F)(F)CCOC(=O)C(C)(C)C(N)CC(C)(C)N)cc3o2)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL22628764 0.89 ALOX5 (0.33) S1PR1ALOX5
SCHEMBL22628784 0.85 ALOX5 (0.34) S1PR1ALOX5
SCHEMBL21735110 0.85 S1PR1 (0.36) S1PR1ALOX5
SCHEMBL22630082 0.85 S1PR1 (0.34) S1PR1ALOX5
SCHEMBL22628898 0.85 ALOX5 (0.34) S1PR1ALOX5
SCHEMBL22629042 0.85 ALOX5 (0.34) S1PR1ALOX5
SCHEMBL21735105 0.84 S1PR1 (0.36) S1PR1ALOX5
SCHEMBL22629941 0.84 ALOX5 (0.33) S1PR1ALOX5
SCHEMBL22628759 0.84
SCHEMBL22629082 0.83 S1PR1 (0.39) S1PR1ALOX5

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
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed