SCHEMBL10536699

SCHEMBL10536699

CCCC1(C(=O)O)COC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CYP2C19 P33261 1/20 0.31
CETP P11597 1/20 0.31
EPHX1 P07099 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
SCHEMBL10536715 0.87 CYP4F2 (0.36) CYP4F2CYP4A11CETP
SCHEMBL3471770 0.85 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL353800 0.81
SCHEMBL5545092 0.78 CYP4F2 (0.34) CYP4F2CYP4A11CYP2C19
SCHEMBL3153596 0.78
Hydrochloric Acid SCHEMBL11613521 0.76 CYP2C19 (0.38) CYP2C19CETP
SCHEMBL4277564 0.74 CYP2C19 (0.52) CYP4F2CYP4A11CYP2C19CETP
SCHEMBL4580987 0.74 CYP2C19 (0.46) CYP4F2CYP4A11CYP2C19CETP
SCHEMBL17960169 0.73
SCHEMBL9470268 0.73 CYP2C19 (0.31) CYP2C19CETP

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-0247481-B1 PROCESS FOR THE PREPARATION OF 2,2-BIS-CHLOROMETHYL-ALKANE-CARBOXYLIC-ACID CHLORIDES BAYER AG (DE) 1989-11-08 EP disclosed
US-4871484-A Process for the preparation of 2,2-bis-chloro-methylalkanecarboxylic acid chlorides BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US disclosed
EP-0247481-A1 Process for the preparation of 2,2-bis-chloromethyl-alkane-carboxylic-acid chlorides BAYER AG (DE) 1987-12-02 EP disclosed