SCHEMBL21202161

SCHEMBL21202161

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL21475351 1.00 CTSS (0.32) CTSSCTSKMEN1KMT2ACA12
SCHEMBL21202146 1.00 CTSS (0.32) CTSSCTSKMEN1KMT2ACA12
SCHEMBL21202148 0.86 CTSS (0.40) CTSSCTSKMEN1KMT2A
SCHEMBL21473627 0.84 ALOX15 (0.33) CTSSCTSKMEN1KMT2A
SCHEMBL547994 0.78 CTSK (0.38) CTSSCTSKMEN1KMT2A
SCHEMBL21202154 0.77 MEN1 (0.51) MEN1KMT2ACA12CA1CA2
SCHEMBL21202213 0.77 MEN1 (0.51) MEN1KMT2ACA12CA1CA2
SCHEMBL21202246 0.77 CTSS (0.35) CTSSCTSKMEN1KMT2A
SCHEMBL15383735 0.76 KMT2A (0.37) CTSKMEN1KMT2ACA1CA2
SCHEMBL19116989 0.76 SLC1A2 (0.36) MEN1KMT2A

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
US-10950891-B2 Diester-based polymer electrolytes for high voltage lithium ion batteries ROBERT BOSCH GMBH (DE) 2021-03-16 US disclosed
US-10950890-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-20190319306-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