SCHEMBL3317532

SCHEMBL3317532

[C]#CC(N)=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
SCHEMBL1003846 0.67
SCHEMBL2645127 0.67
SCHEMBL3927405 0.67
SCHEMBL80456 0.67
SCHEMBL2473127 0.64
Carbamic Acid SCHEMBL27908693 0.64
SCHEMBL9412208 0.64
SCHEMBL5685592 0.64
SCHEMBL8902951 0.64
SCHEMBL2648603 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006091905-A1 BICYCLO (3.1.0) HEXANE DERIVATIVES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-08-31 WO claimed
US-5668137-A N-heterocyclic sulfonamides having endothelin receptor activity ZENECA LTD. (GB) 1997-09-16 US claimed
EP-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP claimed
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-7842672-B2 Phosphonate inhibitors of HCV GILEAD SCIENCES, INC. (US) 2010-11-30 US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 US disclosed
EP-2042502-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2009-04-01 EP disclosed
EP-1544199-B1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 WO disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-20080107628-A1 Polymerase inhibitors GILEAD SCIENCES, INC. 2008-05-08 US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-0749964-B1 N-Heterocyclyl biphenyl sulfonamides ASTRAZENECA AB (SE) 2001-10-04 EP disclosed
US-5958837-A 2-(PHENYLMETHOXY OR CARBONYLOXY-(1,4-PHENYLENE)-),3-HALO,5-HALOALKYLPYRIDINES; HERBICIDES EFFECTING DESICCATION AND DEFOLIATION OF PLANTS; GOOD ACTIVITY AND BETTER TAILORED CONTROL OF WEEDS BASF AKTIENGESELLSCHAFT (DE) 1999-09-28 US disclosed
EP-0802904-B1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AG (DE) 1998-09-09 EP disclosed
CN-1172477-A Substituted 2 -phenylpyridines as herbicides BASF AG (DE) 1998-02-04 CN disclosed
US-5668137-A N-heterocyclic sulfonamides having endothelin receptor activity ZENECA LTD. (GB) 1997-09-16 US disclosed
EP-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1996021647-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed