SCHEMBL4983187

SCHEMBL4983187

CC1(C)CC(CN=C=O)C[C@](C)(N=C=O)C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL364192 1.00 ALDH1A1 (0.40) ALDH1A1CYP3A4
SCHEMBL9393487 0.84 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL1069561 0.78 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL10765263 0.77 ALDH1A1 (0.62) ALDH1A1CYP3A4
SCHEMBL190975 0.75
SCHEMBL28859601 0.75
SCHEMBL2777671 0.75 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL22102895 0.75 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL31737903 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL45919 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351781-B2 Synthesis of vinyl polymers by controlled radical polymerization PPG INDUSTRIES OHIO, INC. (US) 2008-04-01 US disclosed
US-20050131178-A1 Synthesis of vinyl polymers by controlled radical polymerization WHITE DANIELA (US) 2005-06-16 US disclosed