SCHEMBL20143686

SCHEMBL20143686

CC(C)CC(C)COCC(CC=O)CC=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 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
SCHEMBL28790509 0.78 ALDH1A1 (0.35)
SCHEMBL14424538 0.73 CACNA2D1 (0.34) ADH1BADH1CADH1A
SCHEMBL1301652 0.73
SCHEMBL20148874 0.73 ALDH1A1 (0.32)
SCHEMBL26980273 0.69
SCHEMBL17929726 0.68 HSD17B10 (0.43)
SCHEMBL12724503 0.68 ADH1B (0.31) ADH1BADH1CADH1A
SCHEMBL12724485 0.68 ADH1B (0.31) ADH1BADH1CADH1A
SCHEMBL12724511 0.68 ADH1B (0.31) ADH1BADH1CADH1A
SCHEMBL214625 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
US-9968683-B2 Method for conjugating molecules ORGANOLINX CORP. (CA) 2018-05-15 US disclosed