SCHEMBL2160738

SCHEMBL2160738

CC(=O)OCCCOC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
GALR3 O60755 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2161923 0.95 ALDH1A1 (0.54) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL27016396 0.93 ALDH1A1 (0.52) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL3387356 0.93 ALDH1A1 (0.52) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL3391578 0.93 ALDH1A1 (0.52) ALDH1A1TSHRCHRM5CHRM1CHRM3
Acetic Acid Butyl Ester SCHEMBL11780164 0.90 ALDH1A1 (0.72) ALDH1A1TSHRCHRM5CHRM1CHRM3
Hexyl Acetate SCHEMBL4641333 0.86 ALDH1A1 (0.61) ALDH1A1TSHRLMNAATM
SCHEMBL1254465 0.86
Hexyl Formate SCHEMBL8360984 0.85 ALDH1A1 (0.64) ALDH1A1TSHRLMNAATMHPGD
SCHEMBL27016771 0.83 ALDH1A1 (0.42) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL315271 0.83 ALDH1A1 (0.74) ALDH1A1TSHRCHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US claimed
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP claimed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US claimed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP claimed
CN-117219165-B Method for evaluating influence of new pollutants in natural water body by utilizing bacterial-algae co-occurrence network 北京大学 2024-03-08 CN disclosed
CN-117451902-A Method for screening algae sensitive to organic pollutants 北京大学 2024-01-26 CN disclosed
CN-117219165-A Method for evaluating influence of new pollutants in natural water body by utilizing bacterial-algae co-occurrence network 北京大学 2023-12-12 CN disclosed
EP-3663345-B1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME LG CHEMICAL LTD (KR) 2022-02-02 EP disclosed
EP-3663345-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2020-06-10 EP disclosed
US-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US disclosed
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed
EP-0048915-B1 NEW CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP disclosed
EP-0048915-A2 New cephem compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-07 EP disclosed