SCHEMBL14775107

SCHEMBL14775107

O=C(OC#CCc1ccccc1)OC#CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
TDP1 Q9NUW8 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
SRR Q9GZT4 2/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
KEAP1 Q14145 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HAO1 Q9UJM8 1/20 0.37

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
SCHEMBL14775110 0.88 AKR1B1 (0.45) FFAR1FFAR4TDP1SLC6A2SLC6A3
SCHEMBL17554271 0.82 FFAR1 (0.41) FFAR1FFAR4TDP1SLC6A2SLC6A3
SCHEMBL29188727 0.79 ALDH1A1 (0.40) FFAR1FFAR4TDP1SLC6A2SLC6A3
SCHEMBL28012927 0.79 ALDH1A1 (0.41) FFAR1FFAR4TDP1SLC6A2SLC6A3
SCHEMBL9128675 0.76 TP53 (0.42) FFAR1FFAR4TDP1SLC6A2SLC6A3
SCHEMBL14775223 0.74 FFAR1 (0.44) FFAR1FFAR4TDP1SLC6A2SLC6A3
SCHEMBL6075646 0.73 MAOB (0.39) FFAR1FFAR4TDP1SLC6A2SLC6A3
SCHEMBL15859286 0.73 FFAR1 (0.39) FFAR1FFAR4TDP1SLC6A2SLC6A3
SCHEMBL8718616 0.73 ALDH1A1 (0.33) FFAR1FFAR4KMT2AALDH1A1LMNA
SCHEMBL2557228 0.72 TP53 (0.44) FFAR1FFAR4TDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571090-B9 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
US-9553333-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-01-24 US disclosed
EP-2571090-B1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2016-09-07 EP disclosed
US-20150044554-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-12 US disclosed
US-20130216919-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-22 US disclosed
EP-2618418-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-07-24 EP disclosed
US-20130071731-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-03-21 US disclosed
US-20130071730-A1 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-03-21 US disclosed
EP-2571089-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed
EP-2571090-A1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed