SCHEMBL5710754

SCHEMBL5710754

Cc1ccc(C(N=C=O)N=C=O)c(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL27510474 0.82 CYP3A4 (0.39) CYP3A4TRPA1
SCHEMBL11444620 0.79 CYP3A4 (0.34) CYP3A4TRPA1
SCHEMBL23527586 0.78 MIF (0.32)
SCHEMBL21259846 0.78 MIF (0.32)
SCHEMBL58375 0.74 TP53 (0.34) CYP3A4TRPA1
SCHEMBL163750 0.73 ESR1 (0.43) CYP3A4
SCHEMBL4996374 0.72 TRPA1 (0.31) CYP3A4TRPA1
SCHEMBL8763323 0.72 TRPA1 (0.30) CYP3A4TRPA1
SCHEMBL9276569 0.71 TRPA1 (0.31) CYP3A4TRPA1
SCHEMBL9751803 0.71 GABRA1 (0.46) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748828-B2 Polyurethane elastomers having improved green strength and demold time, and polyoxyalkylene polyols suitable for their preparation BAYER ANTWERPEN NV (BE) 2006-11-29 EP disclosed
EP-0748828-B1 Polyurethane elastomers having improved green strength and demold time, and polyoxyalkylene polyols suitable for their preparation BAYER ANTWERPEN NV (BE) 2003-03-26 EP disclosed
US-5965778-A A BLEND OF ULTRA-LOW UNSATURATION POLYOLS HAVE A POLYDISPERSITY OF >1.4 WHEREIN ONE OF THE POLYOLS IS POLYOXYPROPYLENE GLYCOL; CHAIN-EXTENDED POLYETHERURETHANE COPOLYMERS; SHRINKAGE-INHIBITED MICROCELLULAR ELASTOMERS ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1999-10-12 US disclosed
EP-0742240-B1 Improved PTMEG polyurethane elastomers employing monofunctional polyethers ARCO CHEM TECH (US) 1999-08-04 EP disclosed
US-5849944-A Polyurethane elastomers having improved green strength and demold time, and polyoxyalkylene polyols suitable for their preparation ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1998-12-15 US disclosed
US-5728745-A PREPARED BY REACTING DI- OR POLYISOCYANATES WITH MONODISPERSE POLYOXYPROPYLENEDIOL HANING LOW UNSATURATION ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1998-03-17 US disclosed
US-5718856-A FEEDING DI OR POLYISOCYANATE OR MIXTURE, SURFACTANT, ETHYLENE OXIDE END CAPPED POLYOL AND AMINE CATALYST IN A MOLD, FOAMING WITH WATER, REMOVING FOAMED POLYURETHANE PRODUCT ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1998-02-17 US disclosed
US-5670601-A POLYETHERURETHANE COPOLYMER ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1997-09-23 US disclosed
EP-0748828-A1 Polyurethane elastomers having improved green strength and demold time, and polyoxyalkylene polyols suitable for their preparation ARCO Chemical Technology, L.P. (US) 1996-12-18 EP disclosed
EP-0742240-A1 Improved PTMEG polyurethane elastomers employing monofunctional polyethers ARCO Chemical Technology, L.P. (US) 1996-11-13 EP disclosed
US-5549841-A A POLYOXYALKYLENE POLYETHER POLYOL WITH OXYETHYLENE END CAPS; A VINYL POLYMER DISPERSION ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1996-08-27 US disclosed
US-5545706-A TENSILE STRENGTH, TEAR STRENGTH, ELONGATION ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1996-08-13 US disclosed
EP-0008837-B1 RADIATION CURABLE LIQUID COATING COMPOSITION BASED ON AN EPOXY TERMINATED COMPOUND AND A PROCESS FOR COATING A SUBSTRATE WITH SUCH A COMPOSITION AKZO N.V. (NL) 1982-05-05 EP disclosed
EP-0008837-A1 Radiation curable liquid coating composition based on an epoxy terminated compound and a process for coating a substrate with such a composition AKZO N.V. (NL) 1980-03-19 EP disclosed