SCHEMBL28041787

SCHEMBL28041787

C#CCCCOC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 5/20 0.35
MAOA P21397 3/20 0.35
ALOX5 P09917 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL577457 0.87
SCHEMBL7648172 0.87 MAPT (0.43) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL14775497 0.80 MAPT (0.46) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL3454593 0.79 ALDH1A1 (0.40) KMT2AALDH1A1
SCHEMBL3453959 0.79 EPHX1 (0.43) ALDH1A1CYP3A4
SCHEMBL967300 0.79 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL8875913 0.78
SCHEMBL19038574 0.78 EPHX1 (0.55) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL14587451 0.77 ATM (0.50) MAPTALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL3454834 0.77 EPHX1 (0.46) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111628217-A Electrolyte for lithium ion secondary battery, and module 丰田自动车株式会社 2020-09-04 CN disclosed
CN-109301162-A NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME 三菱化学株式会社 2019-02-01 CN disclosed
CN-105074994-B Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same 三菱化学株式会社 2018-10-19 CN disclosed
CN-107078352-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2017-08-18 CN disclosed
CN-105074994-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-11-18 CN disclosed