SCHEMBL2414845

SCHEMBL2414845

CCCCCCCCCc1ccc(OC#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
THRB P10828 2/20 0.53
THRA P10827 1/20 0.53
ALDH1A1 P00352 3/20 0.52
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52

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
SCHEMBL21462953 1.00 HSD17B10 (0.56) HSD17B10TSHRTHRBTHRAALDH1A1
SCHEMBL21462968 1.00 HSD17B10 (0.56) HSD17B10TSHRTHRBTHRAALDH1A1
SCHEMBL21462959 1.00 HSD17B10 (0.56) HSD17B10TSHRTHRBTHRAALDH1A1
SCHEMBL28162292 0.98 HSD17B10 (0.53) HSD17B10TSHRTHRBTHRAALDH1A1
SCHEMBL12864617 0.93 HSD17B10 (0.46) HSD17B10TSHRTHRBTHRAALDH1A1
SCHEMBL22139934 0.85 TSHR (0.50) HSD17B10TSHRTHRBTHRAALDH1A1
SCHEMBL237570 0.85 THRB (0.44) HSD17B10TSHRTHRBALDH1A1LMNA
SCHEMBL10401975 0.85 CALM1 (0.44) HSD17B10TSHRTHRBTHRAALDH1A1
SCHEMBL2096762 0.82 THRB (0.56) HSD17B10TSHRTHRBTHRAALDH1A1
SCHEMBL6265892 0.82 THRB (0.60) HSD17B10TSHRTHRBTHRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979397-B1 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RES GROUP INC (US) 2011-09-07 EP claimed
US-20100137554-A1 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. 2010-06-03 US claimed
EP-1979397-A4 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RES GROUP INC (US) 2009-04-08 EP claimed
EP-1979397-A2 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2008-10-15 EP claimed
WO-2008051241-A2 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2008-05-02 WO claimed
EP-1979397-B1 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RES GROUP INC (US) 2011-09-07 EP disclosed
US-20100137554-A1 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. 2010-06-03 US disclosed
EP-1979397-A4 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RES GROUP INC (US) 2009-04-08 EP disclosed
EP-1979397-A2 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2008-10-15 EP disclosed
WO-2008051241-A2 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2008-05-02 WO disclosed
EP-0386141-B1 HALOGENATED PHENYL CYANATES DOW CHEMICAL CO (US) 1995-01-11 EP disclosed
US-5089660-A Impact strength, toughness THE DOW CHEMICAL COMPANY (US) 1992-02-18 US disclosed
EP-0355151-A4 AROMATIC POLYCYANATE/MONOCYANATE COMONOMER COMPOSITIONS AND POLYTRIAZINES DERIVED THEREFROM. DOW CHEMICAL CO (US) 1990-06-26 EP disclosed
EP-0355151-A1 AROMATIC POLYCYANATE/MONOCYANATE COMONOMER COMPOSITIONS AND POLYTRIAZINES DERIVED THEREFROM THE DOW CHEMICAL COMPANY (US) 1990-02-28 EP disclosed
WO-1989006647-A1 AROMATIC POLYCYANATE/MONOCYANATE COMONOMER COMPOSITIONS AND POLYTRIAZINES DERIVED THEREFROM THE DOW CHEMICAL COMPANY (US) 1989-07-27 WO disclosed
WO-1989004823-A1 HALOGENATED PHENYL CYANATES THE DOW CHEMICAL COMPANY (US) 1989-06-01 WO disclosed
US-4782178-A FIREPROOFING, POLYCYANURATES, TOUGHNESS THE DOW CHEMICAL COMPANY (US) 1988-11-01 US disclosed