SCHEMBL21609277

SCHEMBL21609277

C=CCOC(=O)C(C)(C)OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
RHOA P61586 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2393660 0.83 TSHR (0.39) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL4677345 0.82 TSHR (0.38) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL10011984 0.81 SMN1; SMN2 (0.36) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL7866089 0.80 TSHR (0.42) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL194466 0.80 TSHR (0.42) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL7059507 0.80 TSHR (0.37) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL3441159 0.80 TSHR (0.37) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL4677350 0.80 TSHR (0.37) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL10012845 0.80 TSHR (0.37) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL26945317 0.80 TSHR (0.41) TSHRCYP3A4TDP1MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112292369-B Process for producing MMA in high yield 罗姆化学有限责任公司 2023-08-15 CN disclosed
EP-3814317-B1 METHOD FOR MANUFACTURING MMA IN HIGH YIELDS ROEHM GMBH (DE) 2023-08-02 EP disclosed
CN-112831357-B High-environmental-protection fuel oil capable of replacing gasoline and preparation method thereof 河南精良新能源科技有限公司 2022-07-05 CN disclosed
CN-112831357-A High-environmental-protection fuel oil capable of replacing gasoline and preparation method thereof 河南精良新能源科技有限公司 2021-05-25 CN disclosed
EP-3814317-A1 METHOD FOR PREPARING MMA WITH HIGH YIELDS Röhm GmbH (DE) 2021-05-05 EP disclosed
CN-112292369-A Method for producing MMA in high yield 罗姆化学有限责任公司 2021-01-29 CN disclosed
WO-2020001957-A1 METHOD FOR PREPARING MMA WITH HIGH YIELDS RÖHM GMBH (DE) 2020-01-02 WO disclosed