SCHEMBL5077345

SCHEMBL5077345

CCCC(CC)CC[CH]CCC(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CA2 P00918 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
SCHEMBL28344701 0.87 ALDH1A1 (0.31) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL15169922 0.87 ALDH1A1 (0.31) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL7046403 0.86 ALDH1A1 (0.33) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL10841137 0.85 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL10788769 0.82 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL82509 0.80
SCHEMBL82932 0.80
SCHEMBL3885353 0.79 ALDH1A1 (0.32) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9301472 0.78 TSHR (0.41) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL11348860 0.78 TSHR (0.41) ALDH1A1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910458-B1 LATEX PAINT FILM RESISTANT TO ADVERSE EFFECTS OF WATER, AND COMPOSITIONS AND METHODS FOR MAKING SAME BENJAMIN MOORE&CO (US) 2018-02-21 EP disclosed
EP-1910458-A2 LATEX PAINT FILM RESISTANT TO ADVERSE EFFECTS OF WATER, AND COMPOSITIONS AND METHODS FOR MAKING SAME Columbia Insurance Company (US) 2008-04-16 EP disclosed
WO-2007015980-A2 LATEX PAINT FILM RESISTANT TO ADVERSE EFFECTS OF WATER, AND COMPOSITIONS AND METHODS FOR MAKING SAME COLUMBIA INSURANCE COMPANY (US) 2007-02-08 WO disclosed
EP-1708693-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PALTINUM COMPLEXES WITH SECONDARY XANTHATES AND THERAPEUTIC USES THEREOF Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2006-10-11 EP disclosed
WO-2005058307-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PLATINUM COMPLEXES WITH SECONDARY XANTHATES AND THERAPEUTIC USES THEREOF DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES ÖFFESTIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2005-06-30 WO disclosed