Butanone

Butanone

SCHEMBL457943

CCC(C)=O.CCO

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Butanone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Butanone SCHEMBL5439217 0.96
Butanone SCHEMBL28798425 0.96
Butanone SCHEMBL28969952 0.96
Butanone SCHEMBL10710094 0.96 ALDH1A1 (0.77)
Butanone SCHEMBL5313152 0.93 ALDH1A1 (0.71)
Butanone SCHEMBL27864727 0.93 ALDH1A1 (0.71)
Butanone SCHEMBL1510153 0.91
Butanone SCHEMBL1039820 0.91 ALDH1A1 (1.00)
Butanone SCHEMBL8379087 0.91 ALDH1A1 (1.00)
Butanone SCHEMBL27495689 0.91 ALDH1A1 (1.00)

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 404 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093317-B Continuous process for preparing butenone by acid resin catalysis 上虞新和成生物化工有限公司 2024-04-30 CN claimed
CN-114213264-B Beta-polyether amine, synthesis method thereof and aliphatic polyurea coating containing beta-polyether amine 江苏朝晖化工有限公司 2024-04-19 CN claimed
CN-115124412-B Energy-saving separation process for synthesizing butanone alcohol reaction liquid 清源创新实验室 2023-11-21 CN claimed
CN-114853588-B Separation process of supercritical synthetic butanone alcohol reaction liquid 福州大学 2023-06-30 CN claimed
CN-113214059-B Preparation method of raspberry ketone 山东新和成药业有限公司 2022-10-04 CN claimed
CN-115124412-A Energy-saving separation process for synthesizing butanone alcohol reaction liquid 清源创新实验室 2022-09-30 CN claimed
CN-115093317-A Continuous process for preparing butenone by catalysis of acidic resin 上虞新和成生物化工有限公司 2022-09-23 CN claimed
CN-114853588-A Separation process of reaction liquid for supercritical synthesis of butanone alcohol 福州大学 2022-08-05 CN claimed
CN-114315525-A Synthetic method of vitamin A intermediate 广州智特奇生物科技股份有限公司 2022-04-12 CN claimed
CN-112619202-B Industrial method for preparing food-grade lutein 晨光生物科技集团股份有限公司 2022-04-12 CN claimed
CN-1122014-C Technological process of raising yield and purity of synthetic methyl vinyl ketone UNIV ZHEJIANG (CN) 2003-09-24 CN claimed
CN-1120831-C Technological process of alkali anion exchange resin catalyzed synthesis of butanolone UNIV ZHEJIANG (CN) 2003-09-10 CN claimed
CN-1297878-A Technological process of alkali anion exchange resin catalyzed synthesis of butanolone UNIV ZHEJIANG (CN) 2001-06-06 CN claimed
CN-1297880-A Technological process of raising yield and purity of synthetic methyl vinyl ketone UNIV ZHEJIANG (CN) 2001-06-06 CN claimed
US-5453166-A Separation of ethanol from 2-butanone by extractive distillation Berg, Lloyd (US) 1995-09-26 US claimed
US-4937174-A Process of obtaining improved contrast in electron beam lithography ARIZONA BOARD OF REGENTS (US) 1990-06-26 US claimed
US-4880658-A SOLVENT EXTRACTION NESTEC S.A. (CH) 1989-11-14 US claimed
US-4877716-A METHYL ETHYL KETONE WITH METHYL ISOBUTYL KETONE ARIZONA BOARD OF REGENTS (US) 1989-10-31 US claimed
US-4601857-A FOOD OILS, LUBRICANTS NESTEC S. A. (CH) 1986-07-22 US claimed
EP-0132506-A2 Azeotropic fat fractionation SOCIETE DES PRODUITS NESTLE S.A. (CH) 1985-02-13 EP claimed