SCHEMBL14720558

SCHEMBL14720558

CC1CCCC(C)(C)C1.CC1CCCC(C)(C)C1.CC1CCCC(C)(C)C1.N=C=O.N=C=O.N=C=O

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39

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
SCHEMBL7768431 1.00 CYP1A2 (0.39) CYP1A2
SCHEMBL2152023 1.00 CYP1A2 (0.39) CYP1A2
SCHEMBL4040278 1.00 CYP1A2 (0.39) CYP1A2
Methane SCHEMBL27984748 0.98 CYP1A2 (0.38) CYP1A2
SCHEMBL9345337 0.91 CYP1A2 (0.34) CYP1A2
Isothiocyanate SCHEMBL6155860 0.88 CYP1A2 (0.35) CYP1A2
SCHEMBL21088951 0.87
SCHEMBL17634027 0.87
SCHEMBL56901 0.87
SCHEMBL4819466 0.87

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
EP-2744840-B1 COATING COMPOSITION AND USE THEREOF PPG EUROPE B V (NL) 2017-03-29 EP disclosed
EP-2744840-A2 COATING COMPOSITION AND USE THEREOF PPG Europe B.V. (NL) 2014-06-25 EP disclosed
WO-2013026804-A2 COATING COMPOSITION AND USE THEREOF PPG EUROPE BV (NL) 2013-02-28 WO disclosed