SCHEMBL2237227

SCHEMBL2237227

CCC(Cl)(Cl)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL7788795 0.83 TSHR (0.31) TSHRTDP1ALDH1A1
SCHEMBL3900947 0.71 TSHR (0.30) TSHRTDP1
Ethyl Chloride SCHEMBL11023458 0.69 TSHR (0.31) TSHRTDP1ALDH1A1
Propane SCHEMBL1683354 0.68 TSHR (0.36) TSHRTDP1ALDH1A1
SCHEMBL16231395 0.67
SCHEMBL8967328 0.67 TSHR (0.43) TSHRTDP1ALDH1A1
SCHEMBL12892669 0.67 TSHR (0.38) TSHRTDP1ALDH1A1
SCHEMBL9750810 0.67 TSHR (0.50) TSHRTDP1ALDH1A1
SCHEMBL29823051 0.67 TSHR (0.38) TSHRTDP1ALDH1A1
SCHEMBL933531 0.67 TSHR (0.38) TSHRTDP1ALDH1A1

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
WO-2011093695-A1 A PROCESS FOR THE PREPARATION OF DICHLOROHYDRIN CRISS CROSS TECHNOLOGY B.V. (NL) 2011-08-04 WO disclosed