SCHEMBL20544241

SCHEMBL20544241

CC(C)(C)COCCOC=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL27793476 0.98 CYP2C19 (0.31) CYP2C19
SCHEMBL6377531 0.79 CYP2C19 (0.38) CYP2C19TDP1
SCHEMBL1840934 0.78 CYP2C19 (0.33) CYP2C19TDP1
SCHEMBL28203 0.76
SCHEMBL28652047 0.76 THRB (0.32)
SCHEMBL827285 0.76 ALDH1A1 (0.32)
SCHEMBL813378 0.76 ALDH1A1 (0.32)
SCHEMBL18288738 0.76 CYP2C19 (0.36) CYP2C19
SCHEMBL126792 0.76 ALDH1A1 (0.32)
SCHEMBL29336827 0.74 CYP2C19 (0.31) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-2376413-B2 METHOD FOR DISTILLING AN AQUEOUS MIXTURE OF NEOPENTYLGLYCOL BASF SE (DE) 2018-10-31 EP claimed
CN-119504363-A Method and system for recovering neopentyl glycol from neopentyl glycol synthesis waste liquid 聊城鲁西多元醇新材料科技有限公司 2025-02-25 CN disclosed
CN-119504363-A Method and system for recovering neopentyl glycol from neopentyl glycol synthesis waste liquid 聊城鲁西多元醇新材料科技有限公司 2025-02-25 CN disclosed
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-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-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-111822050-B Carbonylation reaction catalyst composition and method for preparing neopentyl glycol 万华化学集团股份有限公司 2022-07-12 CN disclosed
CN-113877480-A Product refining and purifying system and method for neopentyl glycol copolymer 杭州三隆新材料有限公司 2022-01-04 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-111822050-A Carbonylation reaction catalyst composition and method for preparing neopentyl glycol 万华化学集团股份有限公司 2020-10-27 CN disclosed
CN-110372496-A A kind of method of electrodialysis purification neopentyl glycol sodium formate mixed liquor 河南师范大学 2019-10-25 CN disclosed
CN-103080179-A Binder system based on polyurethane for producing cores and casting molds using cyclic formaldehydes, molding material mixture, and method ASK CHEMICALS GMBH 2013-05-01 CN disclosed