SCHEMBL2585906

SCHEMBL2585906

CC(C)(C)c1ccc(N=C=O)cc1N=C=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.59
TRPA1 O75762 1/20 0.59
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.33

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
SCHEMBL31425155 1.00 CYP3A4 (0.59) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL2343457 0.86 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11878306 0.83 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL4912154 0.81 CYP3A4 (0.38) CYP3A4TRPA1TDP1TSHRALDH1A1
SCHEMBL1493109 0.81 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29442094 0.81 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11879047 0.81 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL311650 0.80 CYP3A4 (0.50) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL16432114 0.80 CYP3A4 (0.44) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL9180347 0.79 ESRRA (0.39) CYP3A4TRPA1TDP1MAPK1ALDH1A1

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 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4618635-A RADIATION CURABLE; HIGH TENSILE STRENGTH UNION CARBIDE CORPORATION (US) 1986-10-21 US claimed
US-4585702-A CURED POLYMERIC BINDER COMPRISING LACTONE-ACRYLATE ADDUCT UNION CARBIDE CORPORATION (US) 1986-04-29 US claimed
EP-0133908-A2 Compositions useful in curable coatings UNION CARBIDE CORPORATION (US) 1985-03-13 EP claimed
US-10280333-B2 Coating compositions Seagrave Coatings Corp. (US) 2019-05-07 US disclosed
EP-3061622-A1 COATING COMPOSITIONS Seagrave Coating Corp. (US) 2016-08-31 EP disclosed
US-20160237309-A1 SOLVENT-FREE POLYURETHANE 100% SOLIDS COATING SEAGRAVE COATINGS 2016-08-18 US disclosed
US-9227459-B2 Ambient cure solvent-based coatings for writable-erasable surfaces IDEAPAINT, INC. (US) 2016-01-05 US disclosed
US-20150314635-A1 AMBIENT CURE SOLVENT-BASED COATINGS FOR WRITABLE-ERASABLE SURFACES WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2015-11-05 US disclosed
US-9056519-B2 Ambient cure solvent-based coatings for writable-erasable surfaces IDEAPAINT, INC. (US) 2015-06-16 US disclosed
US-20130029048-A1 AMBIENT CURE WATER-BASED COATINGS FOR WRITABLE-ERASABLE SURFACES IDEAPAINT, INC. (US) 2013-01-31 US disclosed
US-8309653-B2 Ambient cure water-based coatings for writable-erasable surfaces IDEAPAINT, INC. (US) 2012-11-13 US disclosed
US-4049378-A Dyestuff preparations BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-4021405-A POLYURETHANES, ULTRAVIOLET LIGHT ABSORBERS AMERICAN CYANAMID COMPANY (US) 1977-05-03 US disclosed
US-4021505-A Mar-resistant coating composition of reaction product of hydroxy-terminated urethane and melamine resin AMERICAN CYANAMID COMPANY (US) 1977-05-03 US disclosed
US-4018941-A Process for coating polymeric substrates with mar-resistant coating AMERICAN CYANAMID COMPANY (US) 1977-04-19 US disclosed
US-4017456-A Coating compositions comprising stabilized reaction product of hydroxyl-terminated urethane and melamine resin AMERICAN CYANAMID COMPANY (US) 1977-04-12 US disclosed
US-4017556-A Polymeric substrates coated with reaction product of hydroxy-terminated urethane and melamine resin AMERICAN CYANAMID COMPANY (US) 1977-04-12 US disclosed
US-3994764-A POLYURETHANES, FREE RADICAL CATALYSTS, ACRYLIC AND ACID MONOMERS PRATT & LAMBERT, INC. (US) 1976-11-30 US disclosed
US-3975324-A VULCANIZABLE POLYURETHANE ELASTOMER AMERICAN CYANAMID COMPANY (US) 1976-08-17 US disclosed
US-3947426-A Solid particle-form polymerizable polymeric material and compositions, structures and methods of employing and producing the same STORY CHEMICAL CORPORATION (US) 1976-03-30 US disclosed