SCHEMBL21202149

SCHEMBL21202149

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
TSHR P16473 3/20 0.38
NAAA Q02083 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
ACHE P22303 6/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL21473745 1.00 CA12 (0.39) CA12CA1CA2CA9TSHR
SCHEMBL21202164 0.98 CA12 (0.37) CA12CA1CA2CA9TSHR
SCHEMBL19262246 0.84 DGAT1 (0.31) CA12CA1CA2CA9
SCHEMBL10777181 0.83 TSHR (0.56) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL21202163 0.83 TSHR (0.56) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL21202241 0.79 HTR2C (0.42) CA12CA1CA2CA9NAAA
SCHEMBL21475353 0.79 CA12 (0.40) CA12CA1CA2CA9TSHR
SCHEMBL21473629 0.79 CA12 (0.40) CA12CA1CA2CA9TSHR
SCHEMBL198658 0.79 ALDH1A1 (0.50) TSHRNAAATDP1RAD52NPSR1
SCHEMBL12200942 0.78 TSHR (0.65) TSHRNAAATDP1CYP4F2CYP4A11

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