SCHEMBL12987201

SCHEMBL12987201

CCCC=CC(C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL12987198 1.00 GABBR2 (0.31) GABBR2GABBR1TSHRALDH1A1
SCHEMBL11973074 0.84 MEN1 (0.39) TSHRALDH1A1
SCHEMBL11973078 0.84 MEN1 (0.39) TSHRALDH1A1
SCHEMBL7623045 0.82 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL11973403 0.82 MEN1 (0.47) TSHRALDH1A1
SCHEMBL11973399 0.82 MEN1 (0.47) TSHRALDH1A1
SCHEMBL11973336 0.80 MEN1 (0.50) ALDH1A1
SCHEMBL11973334 0.80 MEN1 (0.50) ALDH1A1
SCHEMBL9682173 0.79 TSHR (0.33) TSHR
SCHEMBL9682169 0.79 TSHR (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678410-B1 COMPOSIITONS COMPRISING MIXTURES OF C10-C13 ALKYLPHENYL SULFONATES PROCTER & GAMBLE (US) 2017-09-13 EP disclosed
WO-2012138423-A1 COMPOSITIONS COMPRISING MIXTURES OF C10-C13 ALKYLPHENYL SULFONATES THE PROCTER & GAMBLE COMPANY (US) 2012-10-11 WO disclosed