SCHEMBL9517835

SCHEMBL9517835

CCCCCC1OC1(CCl)CCCCC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.31
TSHR P16473 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
SCHEMBL9517844 0.78 TSHR (0.33) ALDH1A1TSHR
SCHEMBL6907848 0.75 ALDH1A1 (0.41) ALDH1A1EPHX1TSHR
SCHEMBL6907857 0.75 ALDH1A1 (0.41) ALDH1A1EPHX1TSHR
SCHEMBL9134037 0.74 ALDH1A1 (0.38) ALDH1A1EPHX1TSHR
SCHEMBL7723826 0.72 ALDH1A1 (0.39) ALDH1A1EPHX1TSHR
SCHEMBL11199251 0.72 ALDH1A1 (0.39) ALDH1A1EPHX1TSHR
SCHEMBL9133960 0.68 ALDH1A1 (0.41) ALDH1A1EPHX1TSHR
SCHEMBL11035504 0.68 TSHR (0.35) ALDH1A1TSHR
SCHEMBL7631575 0.67 ALDH1A1 (0.38) ALDH1A1EPHX1
SCHEMBL9618602 0.66 ALDH1A1 (0.44) ALDH1A1EPHX1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409049-B1 METHOD FOR THE STEREOSELECTIVE PRODUCTION OF Z-1,2-DIARYL-ALKYL-CHLORIDES AND THEIR CONVERSION TO AZOLYLMETHYLOXIRANES AS WELL AS INTERMEDIATES BASF Aktiengesellschaft (DE) 1993-03-10 EP claimed
EP-0409049-A2 Method for the stereoselective production of Z-1,2-diaryl-alkyl-chlorides and their conversion to azolylmethyloxiranes as well as intermediates BASF Aktiengesellschaft (DE) 1991-01-23 EP claimed
JP-3163073-A None JP disclosed
JP-H03163073-A NEW Z-1,2-DIARYL-ALLYL CHLORIDE AND ITS SELECTIVE PREPARATION AND NEW CHLOROMETHYL-DIARYL-OXIRANE PREPARED THEREFROM BASF AG 1991-07-15 JP disclosed