SCHEMBL18052245

SCHEMBL18052245

CCC(C)(CCO)NC(=O)CBr

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21227262 0.86 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20104677 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19299881 0.78 PKM (0.37) ALDH1A1
SCHEMBL20104674 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18602216 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21728872 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL20104616 0.71
SCHEMBL2164003 0.69
SCHEMBL11023468 0.69 ALDH1A1 (0.38) ALDH1A1
SCHEMBL25121482 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648510-B1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN INC (US) 2016-08-31 EP disclosed