SCHEMBL21612911

SCHEMBL21612911

CC(C)(C)C(OCCO)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
PGD P52209 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
SCHEMBL28570486 0.88 MEN1 (0.41) TSHR
SCHEMBL27238587 0.88 CYP4F2 (0.31)
SCHEMBL17644461 0.86 CYP4F2 (0.37)
SCHEMBL21069807 0.81 CTH (0.36) PGD
SCHEMBL26940445 0.77 THRB (0.33) PGD
SCHEMBL13698690 0.77 THRB (0.33) PGD
SCHEMBL40472 0.76 ALDH1A1 (0.31)
SCHEMBL28878640 0.75 DGKA (0.37)
SCHEMBL17644460 0.75 MAPT (0.35) TSHRPGD
SCHEMBL1232221 0.75 CTH (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956956-B Method for producing neopentyl glycol 万华化学集团股份有限公司 2023-12-19 CN disclosed
CN-114956956-A Method for producing neopentyl glycol 万华化学集团股份有限公司 2022-08-30 CN disclosed
CN-112142565-B Neopentyl glycol refining and ester removing method and device system with low energy consumption 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-112142565-B Neopentyl glycol refining and ester removing method and device system with low energy consumption 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-112543764-A Amide compound with BET proteolysis induction effect and medical application thereof 田边三菱制药株式会社 2021-03-23 CN disclosed
CN-112142565-A Neopentyl glycol refining and ester removing method and device system with low energy consumption 万华化学集团股份有限公司 2020-12-29 CN disclosed
CN-112142565-A Neopentyl glycol refining and ester removing method and device system with low energy consumption 万华化学集团股份有限公司 2020-12-29 CN disclosed
WO-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 WO disclosed