SCHEMBL9517844

SCHEMBL9517844

CCCCCC1(CCCCC)OC1CCl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9517835 0.78 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL11035504 0.72 TSHR (0.35) TSHRALDH1A1
SCHEMBL11688010 0.67 TSHR (0.36) TSHRALDH1A1
SCHEMBL18632074 0.66
SCHEMBL8743146 0.64 TSHR (0.44) TSHRALDH1A1
SCHEMBL381358 0.64 TSHR (0.44) TSHRALDH1A1
SCHEMBL8743091 0.64 TSHR (0.44) TSHRALDH1A1
SCHEMBL8743069 0.64 TSHR (0.44) TSHRALDH1A1
SCHEMBL2935905 0.64 TSHR (0.44) TSHRALDH1A1
SCHEMBL8743026 0.64 TSHR (0.44) TSHRALDH1A1

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