SCHEMBL732388

SCHEMBL732388

C=C(CCC(C)CC(=C)C(N)=O)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 0.31
GABRG3 Q99928 2/20 0.31
GABRQ Q9UN88 2/20 0.31
BHMT Q93088 1/20 0.30

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
SCHEMBL732386 0.88 TDP1 (0.31) TDP1
SCHEMBL17183769 0.83 TSHR (0.39) TDP1BHMT
SCHEMBL17183761 0.83 TDP1 (0.33) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL491129 0.82 TDP1 (0.32) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL1773510 0.80 CA1 (0.46) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL20379503 0.79 TDP1 (0.30) TDP1
SCHEMBL3230407 0.78 TDP1 (0.36) TDP1
SCHEMBL444548 0.78 ALDH1A1 (0.43) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL2892092 0.77
SCHEMBL9468089 0.77 TDP1 (0.42) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063210-A2 METHOD OF THIOPHENOL REMOVAL FROM POLY(ARYLENE SULFIDE) POLYMER COMPOSITIONS SOLVAY SA (BE) 2016-09-07 EP disclosed
US-9388282-B2 Method of thiophenol removal from poly(arylene sulfide) polymer compositions SOLVAY SPECIALTY POLYMERS USA, LLC. (US) 2016-07-12 US disclosed
WO-2015065906-A2 METHOD OF THIOPHENOL REMOVAL FROM POLY(ARYLENE SULFIDE) POLYMER COMPOSITIONS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-05-07 WO disclosed
US-20150119550-A1 Method of Thiophenol Removal from Poly(Arylene Sulfide) Polymer Compositions CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-04-30 US disclosed
US-8889802-B2 Polymer compositions and methods of making and using same POLYMERIGHT, INC. (US) 2014-11-18 US disclosed
US-20120130040-A1 Polymer Compositions and Methods of Making and Using Same POLYMERIGHT, INC. (US) 2012-05-24 US disclosed
EP-2448990-A1 POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SAME Polymeright Inc. (US) 2012-05-09 EP disclosed
US-8138278-B2 Polymer compositions and methods of making and using same POLYMERIGHT, INC. (US) 2012-03-20 US disclosed
US-20110152492-A1 Polymer Compositions and Methods of Making and Using Same POLYMERIGHT, INC. (US) 2011-06-23 US disclosed
WO-2011008480-A1 POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SAME POLYMERIGHT, INC. (US) 2011-01-20 WO disclosed
US-7585932-B2 Polymer compositions and processes for making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2009-09-08 US disclosed
US-20070055033-A1 POLYMER COMPOSITIONS AND PROCESSES FOR MAKING AND USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY, LP 2007-03-08 US disclosed