SCHEMBL331135

SCHEMBL331135

O=C=NCCc1ccc(CCN=C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 10/20 0.48
TRPA1 O75762 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2A6 P11509 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2A13 Q16696 1/20 0.46
EPAS1 Q99814 1/20 0.46
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
P2RY6 Q15077 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
NAAA Q02083 3/20 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
SCHEMBL18567327 0.91 MIF (0.42) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL895269 0.89 TAAR1 (0.45) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL11253670 0.89 CYP2A6 (0.45) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL1844610 0.89 TAAR1 (0.45) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL1148243 0.89 TAAR1 (0.45) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL27850331 0.89 MIF (0.66) MIFTRPA1HIF1ACYP3A4HTR3A
SCHEMBL1846505 0.89 MIF (0.66) MIFTRPA1CYP2E1CYP2A6HIF1A
Phenethyl Isocyanate SCHEMBL5918 0.88 MIF (0.63) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL670773 0.87 CYP3A4 (0.61) MIFTRPA1CYP2E1CYP2A6HIF1A
Water SCHEMBL27556954 0.87 MIF (0.63) MIFTRPA1HIF1ACYP3A4HTR3A

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 1087 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970554-B1 POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME PPG IND OHIO INC (US) 2023-09-20 EP claimed
US-11591436-B2 Polyurethane article and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2023-02-28 US claimed
US-11472912-B2 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2022-10-18 US claimed
US-11248083-B2 Aircraft windows PPG INDUSTRIES OHIO, INC. (US) 2022-02-15 US claimed
US-11149107-B2 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2021-10-19 US claimed
US-11008418-B2 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2021-05-18 US claimed
US-20200165375-A1 \"Polyurethanes, Articles and Coatings Prepared Therefrom and Methods of Making the Same\ PPG INDUSTRIES OHIO, INC. 2020-05-28 US claimed
US-10590230-B2 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2020-03-17 US claimed
US-20200071451-A1 Aircraft Windows PPG INDUSTRIES, INC. 2020-03-05 US claimed
US-20180282470-A1 Polyurethanes, Articles and Coatings Prepared Therefrom and Methods of Making the Same PPG INDUSTRIES OHIO, INC. 2018-10-04 US claimed
WO-2009005835-A2 ACRYLATED URETHANES, PROCESSES FOR MAKING THE SAME AND CURABLE COMPOSITIONS INCLUDING THE SAME HENKEL CORPORATION (US) 2009-01-08 WO claimed
US-20090012202-A1 Acrylated Urethanes, Processes for Making the Same and Curable Compositions Including the Same HENKEL CORPORATION (US) 2009-01-08 US claimed
EP-2004720-A2 POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME PPG Industries Ohio, Inc. (US) 2008-12-24 EP claimed
US-20070225468-A1 Polyurethanes prepared from polyester polyols and/or polycaprolactone polyols, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-09-27 US claimed
US-20070173601-A1 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-07-26 US claimed
US-20070167600-A1 Polyurethanes prepared from polycaprolactone polyols, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-07-19 US claimed
US-20070167601-A1 Polyurethanes prepared from polycarbonate polyols, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-07-19 US claimed
US-20070155942-A1 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-07-05 US claimed
US-20070149749-A1 Polyurethanes prepared from polycarbonate polyols, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-06-28 US claimed
WO-2007070627-A2 POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME PPG INDUSTRIES OHIO, INC. (US) 2007-06-21 WO claimed