SCHEMBL112009

SCHEMBL112009

CC1=C(O)C(=O)CC1

nearest known ligand 0.00

⚠ 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
SCHEMBL6738847 1.00 TYR (0.39)
Water SCHEMBL17599138 0.97
Pyrazine SCHEMBL7593109 0.86 TYR (0.31)
SCHEMBL441607 0.83
SCHEMBL6428668 0.81 P2RX4 (0.33)
SCHEMBL8664468 0.81 P2RX4 (0.33)
Orthocresol SCHEMBL6013643 0.79 HSD17B10 (0.38)
SCHEMBL2862352 0.77 KDM4E (0.40)
SCHEMBL21380433 0.77 AKT1 (0.30)
SCHEMBL15945083 0.73

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

Appears in 7292 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026104604-A1 SOLID FRAGRANCE COMPOSITION FIRMENICH SA (CH) 2026-05-21 WO claimed
CN-122030576-A Walnut essence and preparation method thereof 杭州盛华香料有限公司 2026-05-15 CN claimed
CN-122004370-A Emulsified liquid fishy smell and preparation method and application thereof 成都大帝汉克生物科技有限公司 2026-05-12 CN claimed
US-20260068882-A1 ARTHROPOD CONTROLLING COMPOSITION FIRMENICH & CIE (CH) 2026-03-12 US claimed
US-12568998-B2 Flavouring composition with balanced taste profile SYMRISE AG (DE) 2026-03-10 US claimed
US-20260007144-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-01-08 US claimed
US-12497381-B2 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2025-12-16 US claimed
US-12496370-B2 Freshening compositions comprising controlled release modulators Arylessence, Inc. (US) 2025-12-16 US claimed
EP-4630411-A1 FORMULATION FOR AROMATIZING A FOOD PRODUCT Döhler GmbH (DE) 2025-10-15 EP claimed
EP-4627941-A1 COMPOSITIONS AND METHODS Nicoventures Trading Limited (GB) 2025-10-08 EP claimed
US-5472370-A Method of planarizing polycrystalline diamonds, planarized polycrystalline diamonds and products made therefrom UNIVERSITY OF ARKANSAS (US) 1995-12-05 US claimed
EP-0245315-B1 PROCESS FOR PREPARING $g(a)-HYDROXY CARBONYL COMPOUNDS L. GIVAUDAN &amp; CIE Société Anonyme (CH) 1990-04-11 EP claimed
EP-0245315-A1 PROCESS FOR PREPARING -g(a)-HYDROXY CARBONYL COMPOUNDS. GIVAUDAN & CIE SA (CH) 1987-11-19 EP claimed
WO-1987003287-A2 PROCESS FOR PREPARING alpha-HYDROXY CARBONYL COMPOUNDS L. GIVAUDAN & CIE SOCIETE ANONYME (CH) 1987-06-04 WO claimed
US-4359586-A FROM 2-ALKYL-1,3-BUTADIENE SCM CORPORATION (US) 1982-11-16 US claimed
US-4235938-A AUGMENTING BACON OR CARMEL FLAVOR INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-11-25 US claimed
US-4234616-A ENHANCING TASTES AND ODORS OF FOODS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-11-18 US claimed
US-4168280-A Method for synthesis of 2-hydroxy-3-methyl cyclopent-2-ene-1-one EL PASO PRODUCTS COMPANY (US) 1979-09-18 US claimed
US-4076854-A ADJUVANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-28 US claimed
US-3958029-A Novel flavoring compositions and products comprising 2,5-dimethyl-3-thioisovaleryl furan INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-05-18 US claimed