SCHEMBL22558078

SCHEMBL22558078

CCCCCOC(=O)OCCCCC#N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
NAAA Q02083 1/20 0.47
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HCAR2 Q8TDS4 2/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL22557975 0.98 NAAA (0.50) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL22558237 0.98 NAAA (0.50) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL22558213 0.98 NAAA (0.50) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL22558056 0.98 NAAA (0.50) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL22558230 0.96 TSHR (0.48) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL22558223 0.96 TSHR (0.48) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL22558067 0.94 NAAA (0.50) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL22558208 0.94 NAAA (0.50) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL22557926 0.94 NAAA (0.50) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL22557923 0.94 NAAA (0.50) TSHRNAAAEPHX1ALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220209301-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE FRANCE (FR) 2022-06-30 US disclosed
EP-3956288-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE France (FR) 2022-02-23 EP disclosed
CN-113795963-A Carbonate solvents for non-aqueous electrolytes for metal and metal ion batteries 斯塞法国公司 2021-12-14 CN disclosed
WO-2020212872-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE FRANCE (FR) 2020-10-22 WO disclosed