SCHEMBL2761827

SCHEMBL2761827

N#CCCCC(Cl)(Cl)C#N

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7151728 0.74
SCHEMBL6884121 0.74
SCHEMBL26535341 0.71 TSHR (0.45) TSHRALDH1A1TDP1CYP3A4
SCHEMBL11831070 0.70 TSHR (0.38) TSHRALDH1A1
SCHEMBL4097484 0.70 TSHR (0.35) TSHRALDH1A1TDP1CYP3A4
SCHEMBL1225264 0.69 TSHR (0.33) TSHRALDH1A1TDP1CYP3A4
SCHEMBL29156603 0.68 TSHR (0.38) TSHRALDH1A1TDP1CYP3A4
SCHEMBL12757715 0.68 TSHR (0.38) TSHRALDH1A1TDP1
SCHEMBL6648740 0.68 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL25729016 0.68 TSHR (0.38) TSHRALDH1A1TDP1

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
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US claimed
US-8484792-B2 Cleaning tool UNICHARM CORPORATION (JP) 2013-07-16 US disclosed
US-20100306937-A1 CLEANING TOOL EHIME PREFECTURAL GOVERNMENT (JP) 2010-12-09 US disclosed
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US disclosed