SCHEMBL4540875

SCHEMBL4540875

CCc1c(C)c(C)c(N=C=O)c(C)c1CN=C=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 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
SCHEMBL1966049 0.89 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL3764900 0.85 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL3764897 0.85 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL9250638 0.81 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL10500897 0.77 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL20144 0.76 CYP3A4 (0.31)
SCHEMBL11042791 0.74 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL9681803 0.74 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL22506800 0.74 GABRA1 (0.32) GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL28288673 0.74 CYP3A4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015041905-A9 POLYURETHANE FOAM AND ASSOCIATED METHOD AND ARTICLE SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-05-14 WO claimed
EP-3036288-A1 RIGID FOAM AND ASSOCIATED ARTICLE AND METHOD SABIC Global Technologies B.V. (NL) 2016-06-29 EP disclosed
WO-2015012989-A1 RIGID FOAM AND ASSOCIATED ARTICLE AND METHOD SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2015-01-29 WO disclosed
EP-2776491-A1 POLY(LACTONE)S, METHOD OF MANUFACTURE, AND USES THEREOF Segetis, Inc. (US) 2014-09-17 EP disclosed
EP-2638094-A2 IONIC POLYMERS, METHOD OF MANUFACTURE, AND USES THEREOF Segetis, Inc. (US) 2013-09-18 EP disclosed
EP-2638037-A2 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF Segetis, Inc. (US) 2013-09-18 EP disclosed
WO-2013071256-A1 POLY(LACTONE)S, METHOD OF MANUFACTURE, AND USES THEREOF SEGETIS, INC. (US) 2013-05-16 WO disclosed
WO-2012065120-A2 IONIC POLYMERS, METHOD OF MANUFACTURE, AND USES THEREOF SEGETIS, INC. (US) 2012-05-18 WO disclosed
WO-2012065116-A2 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF SEGETIS, INC. (US) 2012-05-18 WO disclosed