SCHEMBL935346

SCHEMBL935346

C#CC(=O)CC

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
SCHEMBL936211 0.75
SCHEMBL2123312 0.72 ALDH1A1 (0.44)
SCHEMBL3630572 0.72 CYP2D6 (0.32)
SCHEMBL10911674 0.72
SCHEMBL13218423 0.72
SCHEMBL29699715 0.71
SCHEMBL21848017 0.71
SCHEMBL8147945 0.71
SCHEMBL4604949 0.69
SCHEMBL8105786 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP claimed
EP-0251408-B1 NOVEL ANTI-INFLAMMATORY AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR REDUCING INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 1991-04-17 EP claimed
US-4844717-A KETONE AND AMIDE UNION OIL COMPANY OF CALIFORNIA (US) 1989-07-04 US claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
EP-4240433-B1 MEDICAL SILICONE PRESSURE-SENSITIVE ADHESIVE COMPOSITION ELKEM SILICONES SHANGHAI CO LTD (CN) 2025-12-24 EP disclosed
US-20250352692-A1 MEDICAL SILICONE PRESSURE-SENSITIVE ADHESIVE COMPOSITION ELKEM SILICONES FRANCE SAS (FR) 2025-11-20 US disclosed
US-12453800-B2 Medical silicone pressure-sensitive adhesive composition ELKEM SILICONES SHANGHAI CO., LTD. (CN) 2025-10-28 US disclosed
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 US disclosed
CN-119213094-A Medical silicone pressure sensitive adhesive composition 埃肯有机硅法国简易股份公司 2024-12-27 CN disclosed
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-10-29 US disclosed
EP-4448514-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2024-10-23 EP disclosed
CN-118401516-A TYK2 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
EP-0097874-B1 PROCESS FOR THE PREPARATION OF 6-EXO-ALKANOYL-1,3,3-TRIMETHYL-BICYCLO(2.2.2.)OCTAN-2-ONES BASF Aktiengesellschaft (DE) 1987-11-25 EP disclosed
EP-0207955-A1 PROCESS FOR THE PREPARATION OF 3,5-DISUBSTITUTED ISOXAZOLES. ZAMBON SPA (IT) 1987-01-14 EP disclosed
WO-1986003490-A1 PROCESS FOR THE PREPARATION OF 3,5-DISUBSTITUTED ISOXAZOLES ZAMBON S.P.A. (IT) 1986-06-19 WO disclosed
EP-0097874-A2 Process for the preparation of 6-exo-alkanoyl-1,3,3-trimethyl-bicyclo(2.2.2.)octan-2-ones BASF Aktiengesellschaft (DE) 1984-01-11 EP disclosed
US-4179561-A REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4112096-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4076818-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-02-28 US disclosed
US-3956316-A PROGESTATIONAL AND SALT-RETAINING AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-05-11 US disclosed