SCHEMBL27366701

SCHEMBL27366701

N#CCC(Cl)(CCl)CC#N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 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
SCHEMBL27366700 0.71
SCHEMBL181823 0.69
SCHEMBL1845091 0.67
SCHEMBL10546124 0.67
SCHEMBL6069759 0.65 ALDH1A1 (0.33) TSHRALDH1A1
Chloroform SCHEMBL15163618 0.62 ALDH1A1 (0.32) TSHRCYP3A4ALDH1A1
Chloroform SCHEMBL7067628 0.62 ALDH1A1 (0.32) TSHRCYP3A4ALDH1A1
Chloroform SCHEMBL2454480 0.62 ALDH1A1 (0.32) TSHRCYP3A4ALDH1A1
Chloroform SCHEMBL2455514 0.62 ALDH1A1 (0.32) TSHRCYP3A4ALDH1A1
Chloroform SCHEMBL2457679 0.62 ALDH1A1 (0.32) TSHRCYP3A4ALDH1A1

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
CN-100349969-C Antimicrobial lubricant for wood fiber-plastic composites LONZA AG (US) 2007-11-21 CN disclosed
CN-1688652-A Antimicrobial lubricant for wood fiber-plastic composites LONZA AG (US) 2005-10-26 CN disclosed
CN-1068005-C Oxaboroles and salts thereof, and thire use as biocides ZENECA LTD (GB) 2001-07-04 CN disclosed
CN-1155286-A Oxaboroles and salts thereof, and thire use as biocides ZENECA LTD (GB) 1997-07-23 CN disclosed