SCHEMBL12374434

SCHEMBL12374434

C=Cc1cc(C(O)(c2cc(CC)c(N)c(CC)c2)c2c(Cl)cccc2Cl)cc(CC)c1N

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12404688 0.88 GABRA1 (0.36) ALDH1A1
SCHEMBL14123137 0.79 GABRA1 (0.31)
SCHEMBL14098721 0.78 TNF (0.30)
SCHEMBL14085388 0.74 POLB (0.39) ALDH1A1
SCHEMBL14137840 0.73 POLB (0.35) ALDH1A1
SCHEMBL12374432 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13636830 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14085395 0.67 CYP1A2 (0.36) ALDH1A1
SCHEMBL10742146 0.66 GABRA1 (0.40) ALDH1A1
SCHEMBL26028903 0.64 ALDH1A1 (0.46) ALDH1A1

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
US-7997712-B2 Phase change inks containing colorant compounds XEROX CORPORATION (US) 2011-08-16 US disclosed
US-20080186371-A1 Phase change inks containing colorant compounds XEROX CORPORATION 2008-08-07 US disclosed