SCHEMBL1309745

SCHEMBL1309745

[C]#CCCCCl

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
SCHEMBL28851163 0.97
Magnesium Chloride Anhydrous SCHEMBL20767787 0.91
SCHEMBL1855695 0.90
SCHEMBL20767776 0.88
SCHEMBL20767764 0.88
SCHEMBL6349470 0.87
SCHEMBL6356846 0.87 ALDH1A1 (0.38)
SCHEMBL6353399 0.87
SCHEMBL6349538 0.87 ALDH1A1 (0.38)
SCHEMBL10702522 0.87 ALDH1A1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2979695-A1 THERAPEUTIC AGENT FOR EYE DISORDER AskAt Inc. (JP) 2016-02-03 EP claimed
US-20160008317-A1 THERAPEUTIC AGENT FOR OCULAR DISEASE ASKAT INC. (JP) 2016-01-14 US claimed
CN-105073109-A Therapeutic agent for eye disorder ASKAT INC 2015-11-18 CN claimed
US-7419620-B2 Dichroic mixtures ROLIC LTD C/O ROLIC TECHNOLOGIES LTD (CH) 2008-09-02 US claimed
EP-1385914-B1 DICHROIC MIXTURE ROLIC AG (CH) 2008-07-23 EP claimed
US-7109211-B2 Substituted benzopyran derivatives for the treatment of inflammation PHARMACIA CORPORATION (OF PFIZER, INC.) (US) 2006-09-19 US claimed
CN-1196692-C Substituted benzopyran derivatives for the treatment of inflammation SEARLE & CO (US) 2005-04-13 CN claimed
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2005-03-03 US claimed
US-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 US claimed
US-6822102-B2 COMPOUNDS SUCH AS (2S,3R)-6,8-DICHLORO-3,4-DIHYDRO-2-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-3 -CARBOXYLIC ACID, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC, ANTICARCINOGENIC AGENTS OR ANALGESICS PHARMACIA CORPORATION 2004-11-23 US claimed
CN-1329607-A Substituted benzopyran analogs for the treatment of inflammation SEARLE & CO (US) 2002-01-02 CN claimed
EP-1123285-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2001-08-16 EP claimed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US claimed
WO-2001049675-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2001-07-12 WO claimed
CN-1257489-A Substituted benzopyran derivatives for the treatment of inflammation SEARLE & CO (US) 2000-06-21 CN claimed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US claimed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO claimed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 US claimed
EP-0977748-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE &amp; CO. (US) 2000-02-09 EP claimed
WO-1998047890-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-10-29 WO claimed