SCHEMBL4297438

SCHEMBL4297438

[CH]1CC(c2ccccc2)CC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MAOB P27338 8/20 0.38
MAOA P21397 7/20 0.38
KDM1A O60341 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP2B6 P20813 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL779515 0.80 SLC18A3 (0.43) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL303054 0.80
SCHEMBL2103232 0.80
SCHEMBL1779485 0.80
SCHEMBL21531687 0.78 SLC18A3 (0.38) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL779950 0.78 AKR1C3 (0.44) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL27994625 0.78
SCHEMBL6519587 0.78 TSHR (0.42) SLC18A3SIGMAR1GAAMAPTMAOB
SCHEMBL4800650 0.78 TSHR (0.42) SLC18A3SIGMAR1GAAMAPTMAOB
SCHEMBL778067 0.73 SLC18A3 (0.44) SLC18A3SIGMAR1GAAMAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061115-B1 LITHIUM DIFLUOROPHOSPHATE, ELECTROLYTIC SOLUTION CONTAINING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING NONAQUEOUS ELECTROLYTIC SOLUTION, NONAQUEOUS ELECTROLYTIC SOLUTION, AND NONAQUEOUS-ELECTROLYTIC-SOLUTION SECONDARY CELL EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2015-04-01 EP disclosed
US-20090286155-A1 LITHIUM DIFLUOROPHOSPHATE, ELECTROLYTE CONTAINING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE, AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY CONTAINING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2009-11-19 US disclosed
EP-2061115-A1 LITHIUM DIFLUOROPHOSPHATE, ELECTROLYTIC SOLUTION CONTAINING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING NONAQUEOUS ELECTROLYTIC SOLUTION, NONAQUEOUS ELECTROLYTIC SOLUTION, AND NONAQUEOUS-ELECTROLYTIC-SOLUTION SECONDARY CELL EMPLOYING THE SAME Mitsubishi Chemical Corporation (JP) 2009-05-20 EP disclosed