SCHEMBL14775223

SCHEMBL14775223

O=C(OCC#CCc1ccccc1)OCC#CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
SRR Q9GZT4 2/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PAM P19021 1/20 0.39
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.39
AKR1B1 P15121 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL5623885 0.89 FFAR1 (0.44) FFAR1FFAR4SRRALDH1A1SMN1; SMN2
SCHEMBL31103465 0.82 ALDH1A1 (0.44) FFAR1FFAR4SRRALDH1A1SMN1; SMN2
SCHEMBL31103483 0.81 SRR (0.40) FFAR1FFAR4SRRALDH1A1SMN1; SMN2
SCHEMBL6688790 0.77 TSHR (0.44) FFAR1FFAR4SRRALDH1A1SMN1; SMN2
SCHEMBL3888886 0.76 CALM1 (0.50) FFAR1FFAR4ALDH1A1SMN1; SMN2TDP1
SCHEMBL11306953 0.75 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1KMT2AMAPK1
SCHEMBL14775107 0.74 FFAR1 (0.45) FFAR1FFAR4SRRALDH1A1TDP1
SCHEMBL23277717 0.74 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2TDP1L3MBTL1KMT2A
SCHEMBL9315411 0.74 IDO1 (0.48) FFAR1FFAR4SRRSMN1; SMN2
SCHEMBL3218842 0.74 KCNH2 (0.42) FFAR1FFAR4SRRALDH1A1SMN1; SMN2

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-2571090-A1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed
EP-2571089-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed