SCHEMBL21202147

SCHEMBL21202147

CCCCCCOC(=O)C(CCC#N)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.44
EPHX1 P07099 1/20 0.42
NAAA Q02083 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
FAAH O00519 1/20 0.39
ACHE P22303 6/20 0.38
TSHR P16473 3/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL21202150 1.00 ZDHHC7 (0.44) ZDHHC7EPHX1NAAACA1CA2
SCHEMBL21475350 1.00 ZDHHC7 (0.44) ZDHHC7EPHX1NAAACA1CA2
SCHEMBL20528141 0.91 NAAA (0.43) EPHX1NAAAFAAHACHETSHR
SCHEMBL21485102 0.90 NAAA (0.42) EPHX1NAAAFAAHTSHRZDHHC20
SCHEMBL21480847 0.90 NAAA (0.42) EPHX1NAAAFAAHTSHRZDHHC20
SCHEMBL20528166 0.89 TSHR (0.41) EPHX1NAAAFAAHTSHRZDHHC20
SCHEMBL19105332 0.88 TSHR (0.45) EPHX1NAAACA1CA2TSHR
SCHEMBL21202148 0.83 CTSS (0.40) EPHX1NAAATSHRZDHHC20HCAR2
SCHEMBL19105368 0.82 TSHR (0.38) ZDHHC7CA1CA2TSHR
SCHEMBL20528140 0.81 TSHR (0.42) ZDHHC7EPHX1NAAAFAAHTSHR

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
US-10950891-B2 Diester-based polymer electrolytes for high voltage lithium ion batteries ROBERT BOSCH GMBH (DE) 2021-03-16 US disclosed
US-20190319307-A1 DIESTER-BASED POLYMER ELECTROLYTES FOR HIGH VOLTAGE LITHIUM ION BATTERIES SEEO, INC. (US) 2019-10-17 US disclosed
US-10367228-B2 Diester-based polymer electrolytes for high voltage lithium ion batteries SEEO, INC. (US) 2019-07-30 US disclosed