SCHEMBL3974993

SCHEMBL3974993

CCC=CC1(C#N)CCCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22068487 0.77 KDM4E (0.31) ALDH1A1
SCHEMBL548602 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL21399816 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21399964 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9758343 0.71
SCHEMBL9758347 0.71
SCHEMBL9758754 0.69 CYP1A2 (0.35)
SCHEMBL2292112 0.69
SCHEMBL548585 0.67 ALDH1A1 (0.40) ALDH1A1
SCHEMBL28981370 0.65

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
WO-2009058288-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed