SCHEMBL9107576

SCHEMBL9107576

CCC(C)(O)CCC(O)(CC)CCC(C)(O)CCC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL12043115 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9107577 0.87 ALDH1A1 (0.62) ALDH1A1
SCHEMBL1080642 0.87 ALDH1A1 (0.62) ALDH1A1
SCHEMBL4894853 0.85 FDPS (0.32) ALDH1A1
SCHEMBL9720193 0.79 ALDH1A1 (0.59) ALDH1A1
SCHEMBL1052050 0.79 ALDH1A1 (0.44) ALDH1A1
SCHEMBL16480469 0.73
SCHEMBL13772305 0.73
SCHEMBL308697 0.73
SCHEMBL21561557 0.72 ALDH1A1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120138206-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-06-07 US disclosed