SCHEMBL114222

SCHEMBL114222

CC(=O)CC[C]=O

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
SCHEMBL116689 0.82
SCHEMBL1532639 0.80
SCHEMBL8458711 0.78 PAOX (0.52)
SCHEMBL18663450 0.78 PAOX (0.52)
SCHEMBL9493905 0.78 PAOX (0.52)
SCHEMBL11331384 0.78 PAOX (0.52)
SCHEMBL4226339 0.78 PAOX (0.52)
SCHEMBL7707994 0.78 PAOX (0.52)
SCHEMBL1845363 0.77
SCHEMBL2122700 0.73 CES2 (0.37)

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 1632 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216299-A1 TRANSMUCOSAL THERAPEUTIC SYSTEM CONTAINING AGOMELATINE LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2024-07-04 US claimed
EP-4393912-A1 BACTERIAL CAPSULAR OLIGOSACCHARIDE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Peking University (CN) 2024-07-03 EP claimed
EP-4391827-A1 METHOD OF MITIGATING OFF-ODORS Givaudan SA (CH) 2024-07-03 EP claimed
US-12018306-B2 Method for chemically synthesizing Helicobacter pylori core lipopolysaccharide oligosaccharide antigen carbohydrate chain JIANGNAN UNIVERSITY (CN) 2024-06-25 US claimed
WO-2024120760-A1 FORMULATION FOR AROMATIZING A FOOD PRODUCT DÖHLER GmbH (DE) 2024-06-13 WO claimed
EP-4378527-A2 TRANSMUCOSAL THERAPEUTIC SYSTEM CONTAINING AGOMELATINE LTS Lohmann Therapie-Systeme AG (DE) 2024-06-05 EP claimed
WO-2024083615-A1 COMPOSITIONS AND METHODS FOR MASKING OFF-NOTES IN CONSUMABLES GIVAUDAN SA (CH) 2024-04-25 WO claimed
EP-4076380-B1 TRANSMUCOSAL THERAPEUTIC SYSTEM CONTAINING AGOMELATINE LTS LOHMANN THERAPIE SYSTEME AG (DE) 2024-04-24 EP claimed
US-20240068001-A1 Method for Chemically Synthesizing Helicobacter pylori Core Lipopolysaccharide Oligosaccharide Antigen Carbohydrate Chain JIANGNAN UNIVERSITY (CN) 2024-02-29 US claimed
US-20240057595-A1 INSECT REPELLENT COMPOSITIONS SYMBIOTIC CAPITAL AGENCY LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-02-22 US claimed
EP-0161007-A2 Retro - inverso C-Terminal hexapeptide analogues of substance P ENI-Ente Nazionale Idrocarburi (IT) 1985-11-13 EP claimed
EP-0082568-B1 RETRO-INVERSO ANALOGUES OF C-TERMINAL PENTA AND HEXAPEPTIDES OF SUBSTANCE P. ANIC S.p.A. (IT) 1984-11-21 EP claimed
US-4439360-A Retro-inverso analogues of C-terminal penta and hexapeptides of Substance P ANIC S.P.A. (IT) 1984-03-27 US claimed
EP-0082568-A2 Retro-inverso analogues of C-terminal penta and hexapeptides of substance P. ANIC S.p.A. (IT) 1983-06-29 EP claimed
US-4285984-A FOODS AND TOBACCO GIVAUDAN CORPORATION (US) 1981-08-25 US claimed
US-4277394-A ANALGESICS, ANTIDIARRHEA, TREATMENT OF MENTAL DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-07-07 US claimed
US-4098884-A ANTITUMOR AGENTS SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1978-07-04 US claimed
US-4012346-A ACRYLONITRILE COPOLYMER, CELLULOSE ESTER, METAL COMPOUND KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1977-03-15 US claimed
US-3959509-A Flavoring foodstuffs using sulfur-containing compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-05-25 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