SCHEMBL1897709

SCHEMBL1897709

O=C=Nc1cc(N=C=O)c(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9235250 0.79 CYP3A4 (0.49) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL31135808 0.78 CES2 (0.46) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL10905501 0.78 CES2 (0.46) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL1493109 0.78 CYP3A4 (0.55) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL424482 0.78 IDO1 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL31135862 0.78 CES2 (0.46) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL3104369 0.78 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL30438763 0.78 IDO1 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL12535901 0.78 CES2 (0.46) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL8644610 0.77 CYP3A4 (0.35) CYP3A4TRPA1ALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841480-B1 FLUOROCHEMICAL COMPOUNDS, COMPOSITIONS, ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2019-09-18 EP disclosed
EP-3519625-A1 GREASEPROOF PAPER Coöperatie Avebe U.A. (NL) 2019-08-07 EP disclosed
EP-2367775-B1 METHOD TO PROVIDE STAIN RELEASE AND STAIN REPELLENCY PROPERTIES TO SUBSTRATES 3M INNOVATIVE PROPERTIES CO (US) 2018-12-05 EP disclosed
US-10030334-B2 Fluorochemical compounds, compositions, articles, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-07-24 US disclosed
US-9988564-B2 Polyurethane-based adhesives 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-06-05 US disclosed
WO-2017205381-A1 CELLULOSIC FLOORCOVERINGS AND APPLICATIONS THEREOF Wilana Chemical LLC (US) 2017-11-30 WO disclosed
US-20170335511-A1 CELLULOSIC FLOORCOVERINGS AND APPLICATIONS THEREOF Wilana Chemical LLC 2017-11-23 US disclosed
EP-2376403-B1 USE OF A COMPOSITION FOR PROVIDING STAIN RELEASE OR STAIN REPELLENCY TO NATURAL OR MAN-MADE STONE SUBSTRATES 3M INNOVATIVE PROPERTIES CO (US) 2017-11-08 EP disclosed
CN-102317235-B The composition and method of greasiness removal and pollution resistance are provided for substrate 3M创新有限公司 2017-10-31 CN disclosed
EP-2494081-B1 SOIL AND STAIN RESISTANT COATING COMPOSITION FOR FINISHED LEATHER SUBSTRATES 3M INNOVATIVE PROPERTIES CO (US) 2017-09-06 EP disclosed
US-5453540-A Oil and water repellent, stain resistance, softener MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-09-26 US disclosed
EP-0578651-B1 ISOCYANATE DERIVATIVES COMPRISING FLUOROCHEMICAL OLIGOMERS MINNESOTA MINING & MFG (US) 1995-09-13 EP disclosed
EP-0646196-A1 FLUORINE-EFFICIENT OIL AND WATER REPELLENT COMPOSITIONS. MINNESOTA MINING & MFG (US) 1995-04-05 EP disclosed
EP-0578651-A1 ISOCYANATE DERIVATIVES COMPRISING FLUOROCHEMICAL OLIGOMERS. MINNESOTA MINING & MFG (US) 1994-01-19 EP disclosed
US-5276175-A Endcapped oligomeric acrylate esters modified with polyisocyanate compounds and partially blocked with an oxime MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-01-04 US disclosed
EP-0573526-A1 COMPOSITION FOR PROVIDING OIL AND WATER REPELLENCY. MINNESOTA MINING & MFG (US) 1993-12-15 EP disclosed
US-5258458-A Terpolymer of fluorine containing monomer, unsaturated monomer, and silicone with fluorine containing blocked isocyanate-type compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-02 US disclosed
WO-1992017636-A1 FLUORINE-EFFICIENT OIL AND WATER REPELLENT COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-15 WO disclosed
WO-1992017635-A1 ISOCYANATE DERIVATIVES COMPRISING FLUOROCHEMICAL OLIGOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-15 WO disclosed
WO-1992015748-A1 COMPOSITION FOR PROVIDING OIL AND WATER REPELLENCY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-17 WO disclosed