SCHEMBL965702

SCHEMBL965702

[C]#CCC(=O)OC

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
SCHEMBL2946746 0.77 TSHR (0.53)
SCHEMBL209791 0.74
SCHEMBL8624435 0.74
SCHEMBL243682 0.74
SCHEMBL965600 0.74
SCHEMBL8699795 0.72
SCHEMBL4124056 0.72
SCHEMBL180857 0.72
SCHEMBL965534 0.70
SCHEMBL29285367 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150045409-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-12 US disclosed
EP-2813493-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company Limited (JP) 2014-12-17 EP disclosed
US-8513162-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-20 US disclosed
US-8344163-B2 Nitrile compound and its use for control of arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-8309589-B2 Fluorine-containing organosulfur compound and pesticidal composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-8263628-B2 Fluorine-containing organosulfur compound and pesticidal composition thereof SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2012-09-11 US disclosed
US-8247596-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-20 US disclosed
EP-2376450-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2011-10-19 EP disclosed
US-6242454-B1 Benzamidine derivatives substituted by amino acid and hydroxy acid derivatives and their use as anti-coagulants BERLEX LABORATORIES INC. 2001-06-05 US disclosed
US-6166088-A CONTROLLING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-12-26 US disclosed
US-6071912-A INHIBIT HUMAN FACTOR XA AND ARE THEREFORE USEFUL AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY; AMINO-, OXY- AND THIA-SUBSTITUTED TRIAZINES BERLEX LABORATORIES, INC. (US) 2000-06-06 US disclosed
EP-0888271-A4 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2000-03-15 EP disclosed
US-5994375-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1999-11-30 US disclosed
EP-0888271-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1999-01-07 EP disclosed
US-5668137-A N-heterocyclic sulfonamides having endothelin receptor activity ZENECA LTD. (GB) 1997-09-16 US disclosed
WO-1997029067-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-08-14 WO disclosed
EP-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP disclosed