SCHEMBL7084623

SCHEMBL7084623

CC(C)(O)NCCNC(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3107552 0.87
SCHEMBL635740 0.83
SCHEMBL1720452 0.83
SCHEMBL30762299 0.83 KDM4E (0.33) ALDH1A1
SCHEMBL3100372 0.83 CYP2C19 (0.39)
SCHEMBL22019485 0.81
SCHEMBL22016092 0.81 ALDH1A1 (0.50) ALDH1A1
SCHEMBL2018581 0.81
SCHEMBL28354717 0.79 CA12 (0.52) ALDH1A1
SCHEMBL9950060 0.79 CA12 (0.52) 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
JP-2049028-A None JP disclosed
US-20030134758-A1 Compounds capable of reducing friction coefficients under mixed lubrication or boundary lubrication conditions in a heavy duty diesel engine lubricating oil composition for improving the fuel economy of a heavy duty diesel engine. BOVINGTON CHARLES H (GB) 2003-07-17 US disclosed
JP-H0249028-A PRODUCTION OF POLYURETHANE SUBSTANCE ASAHI DENKA KOGYO KK 1990-02-19 JP disclosed