SCHEMBL9935972

SCHEMBL9935972

CCCCCOC(=O)CF

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.65
RAD52 P43351 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
DGKA P23743 1/20 0.54
FAAH O00519 2/20 0.53
HTR2C P28335 1/20 0.52
EPHX1 P07099 1/20 0.50
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HCAR2 Q8TDS4 2/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL9937106 0.98 NAAA (0.69) NAAARAD52NPSR1DGKAFAAH
SCHEMBL27510785 0.98 NAAA (0.69) NAAARAD52NPSR1DGKAFAAH
SCHEMBL27436679 0.98 NAAA (0.69) NAAARAD52NPSR1DGKAFAAH
SCHEMBL8794423 0.93
Benzene SCHEMBL28257981 0.87 ALDH1A1 (0.50) NAAARAD52NPSR1DGKAFAAH
SCHEMBL2838461 0.83
SCHEMBL20847 0.81 NAAA (0.95) NAAARAD52NPSR1DGKAFAAH
SCHEMBL240774 0.81 NAAA (0.71) NAAARAD52NPSR1DGKAFAAH
SCHEMBL19556 0.81 HTR2C (0.71) NAAARAD52NPSR1DGKAFAAH
SCHEMBL2537171 0.79 NAAA (0.68) NAAARAD52NPSR1DGKAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118630297-A Battery cell 珠海冠宇电池股份有限公司 2024-09-10 CN disclosed
CN-114591223-A Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-06-07 CN disclosed
US-9472813-B2 Battery electrolyte solution containing certain ester-based solvents, and batteries containing such an electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-10-18 US disclosed
CN-103262329-B Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-02-10 CN disclosed
EP-2652832-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION Dow Global Technologies LLC (US) 2013-10-23 EP disclosed
US-20130260229-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-03 US disclosed
CN-103262329-A Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES INC 2013-08-21 CN disclosed
WO-2012082760-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-21 WO disclosed