SCHEMBL13005648

SCHEMBL13005648

CBOC(C)(C)C(C)(C)OC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7885536 0.78 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13064463 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL171508 0.75 ALDH1A1 (0.55) ALDH1A1
SCHEMBL7995892 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12184466 0.66
SCHEMBL10574474 0.65 ALDH1A1 (0.43) ALDH1A1
SCHEMBL8208648 0.62
SCHEMBL8227457 0.60
SCHEMBL15910079 0.60 ALDH1A1 (0.46) ALDH1A1
SCHEMBL13397357 0.60 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784396-B1 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-12-22 EP disclosed
WO-2009152920-A1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-12-23 WO disclosed
WO-2008012524-A1 SUBSTITUTED ANILINE DERIVATIVES UCB PHARMA S.A. (BE) 2008-01-31 WO disclosed