SCHEMBL4450663

SCHEMBL4450663

N#CC(=CCO)C(=O)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
SCHEMBL9639817 1.00
SCHEMBL10885668 0.81 EGFR (0.37)
SCHEMBL27880894 0.81 EGFR (0.37)
SCHEMBL15597 0.78
SCHEMBL18315247 0.78
SCHEMBL110533 0.78
SCHEMBL15598 0.78
SCHEMBL22770085 0.78
SCHEMBL7522298 0.78 EGFR (0.38)
SCHEMBL8720918 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4061767-A ANTIINFLAMMATORY, ANALGESIC HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 US claimed
US-7638142-B2 Therapeutic composition for the treatment of dry eye syndrome VITAMIN SCIENCE, INC. (US) 2009-12-29 US disclosed
US-20070082065-A1 Therapeutic composition for the treatment of dry eye syndrome VITAMIN SCIENCE LLC 2007-04-12 US disclosed
US-6335356-B1 LEFLUNOMIDE IN SOLUTION OF SURFACTANT AND ALCOHOL; ANTIPROLIFERATIVE AND ANTICARCINOGENIC AGENTS SUGEN, INC. 2002-01-01 US disclosed
US-6331555-B1 EVALUATING SUSCEPTIBILITY OF CANCER TO COMPOUNDS WHICH INHIBIT PLATELET DERIVED GROWTH FACTOR RECEPTOR ACTIVITY UNIVERSITY OF CALIFORNIA 2001-12-18 US disclosed
EP-0830145-B1 FORMULATIONS COMPRISING LEFLUNOMIDE SUGEN INC (US) 2000-06-14 EP disclosed
EP-0804191-B1 USE OF INHIBITORS OF PLATELET DERIVED GROWTH RECEPTOR FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CANCERS SUGEN INC (US) 2000-05-17 EP disclosed
EP-0997153-A1 Formulations for lipophilic compounds Sugen, Inc. (US) 2000-05-03 EP disclosed
US-5990141-A ADMINISTERING 5-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID-N-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-TRIFLUORO-METHYL)PHENYL-2-BUTENAMIDE; ANTITUMOR,-CARCINOGENIC AND PROLIFERATIVE AGENTS; KINASE INHIBITORS SUGEN INC. (US) 1999-11-23 US disclosed
US-5958959-A ADMINISTERING 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE SUGEN, INC. (US) 1999-09-28 US disclosed
EP-0326107-B1 ANTIARTHRITIC BETA-CYCLOALKYL-BETA-OXOPROPIONITRILES Bristol-Myers Squibb Company (US) 1992-09-02 EP disclosed
EP-0413329-A2 5-Methyl-isoxazole-4-carboxylic acid anilides and 2-hydroxyethylidene-cyano acetic acid anilides for the treatment of ocular diseases ALCON LABORATORIES, INC. (US) 1991-02-20 EP disclosed
EP-0413329-A2 5-Methyl-isoxazole-4-carboxylic acid anilides and 2-hydroxyethylidene-cyano acetic acid anilides for the treatment of ocular diseases ALCON LABORATORIES, INC. (US) 1991-02-20 EP disclosed
EP-0413329-A2 5-Methyl-isoxazole-4-carboxylic acid anilides and 2-hydroxyethylidene-cyano acetic acid anilides for the treatment of ocular diseases ALCON LABORATORIES, INC. (US) 1991-02-20 EP disclosed
US-4975462-A Antiarthritic α-arylcarbamoyl cyanoacetic acid derivatives BRISTOL-MYERS COMPANY (US) 1990-12-04 US disclosed
EP-0352812-A1 Antiarthritic alpha-arylcarbamoyl cyanoacetic acid derivatives Bristol-Myers Squibb Company (US) 1990-01-31 EP disclosed
US-4888357-A ANTIINFLAMMATORY AGENTS BRISTOL-MYERS COMPANY (US) 1989-12-19 US disclosed
EP-0326107-A1 Antiarthritic beta-cycloalkyl-beta-oxopropionitriles Bristol-Myers Squibb Company (US) 1989-08-02 EP disclosed
US-4061767-A ANTIINFLAMMATORY, ANALGESIC HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed
US-4061767-A ANTIINFLAMMATORY, ANALGESIC HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed