SCHEMBL21473629

SCHEMBL21473629

CC(C)(C)CCCCCCCOC(=O)CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
FAAH O00519 2/20 0.40
NAAA Q02083 1/20 0.39
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
EPHX1 P07099 1/20 0.33
HTR2C P28335 1/20 0.33
ACHE P22303 6/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL21475353 1.00 CA12 (0.40) CA12CA1CA2CA9FAAH
SCHEMBL21202241 0.86 HTR2C (0.42) CA12CA1CA2CA9FAAH
SCHEMBL21202243 0.84 HTR2C (0.40) CA12CA1CA2CA9NAAA
SCHEMBL20500907 0.84 NAAA (0.58) FAAHNAAARAD52NPSR1EPHX1
SCHEMBL21202159 0.84 NAAA (0.58) FAAHNAAARAD52NPSR1EPHX1
SCHEMBL20962942 0.82 NAAA (0.55) FAAHNAAARAD52NPSR1EPHX1
SCHEMBL8912939 0.80 FAAH (0.47) FAAHNAAARAD52NPSR1MGAM
SCHEMBL21473745 0.79 CA12 (0.39) CA12CA1CA2CA9NAAA
SCHEMBL21202149 0.79 CA12 (0.39) CA12CA1CA2CA9NAAA
SCHEMBL21015283 0.78 NAAA (0.44) FAAHNAAARAD52NPSR1TDP1

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-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