⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6535329 | 0.72 | — | — | |
| SCHEMBL540597 | 0.70 | — | — | |
| SCHEMBL9911578 | 0.67 | — | — | |
| SCHEMBL11023144 | 0.67 | — | — | |
| SCHEMBL616613 | 0.67 | — | — | |
| SCHEMBL1803797 | 0.67 | — | — | |
| Methylglyoxal SCHEMBL47032 | 0.67 | — | — | |
| SCHEMBL7642778 | 0.67 | — | — | |
| SCHEMBL3416836 | 0.67 | — | — | |
| SCHEMBL279294 | 0.67 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0226896-A2 | Lankacidin derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1987-07-01 | — | — | EP | claimed |
| US-20170313652-A1 | Poly-Cyanostilbene Macrocycles | NATIONAL SCIENCE FOUNDATION | 2017-11-02 | — | — | US | disclosed |
| US-9701621-B2 | Poly-cyanostilbene macrocycles | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) | 2017-07-11 | — | — | US | disclosed |
| US-20150376122-A1 | Poly-Cyanostilbene Macrocycles | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION | 2015-12-31 | — | — | US | disclosed |
| EP-2020851-A4 | SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES | SYNGENTA LTD (GB) | 2009-09-02 | — | — | EP | disclosed |
| EP-2020851-A2 | SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES | Syngenta Limited (GB) | 2009-02-11 | — | — | EP | disclosed |
| WO-2007075487-A2 | SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES | SYNGENTA LIMITED (GB) | 2007-07-05 | — | — | WO | disclosed |
| JP-2005139098-A | METHOD FOR PRODUCING 1-THIO-2-PROPANONE DERIVATIVE AND 5-METHYL-5-THIOMETHYLHYDANTOIN DERIVATIVE | KANEKA CORP | 2005-06-02 | — | — | JP | disclosed |
| US-6307101-B1 | AMIDES SUBSTITUTED WITH MERCAPTOALCOHOL OR MERCAPTOKETONE GROUPS | CAMPBELL DAVID A (US) | 2001-10-23 | — | — | US | disclosed |
| WO-2000044731-A1 | NOVEL HYDROXYAMIDINO CARBOXYLATE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-08-03 | — | — | WO | disclosed |
| US-5929278-A | Inhibitors of metalloproteases, pharmaceutical compositions comprising same and methods of their use | AFFYMAX TECHNOLOGIES N.V. (GB) | 1999-07-27 | — | — | US | disclosed |
| US-5840698-A | ENZYME INHIBITORS OF MERCAPTOKETONES AND MERCAPTOALCOHOLS FOR CONTROLLING DISEASES OF TISSUE BREAKDOWN, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS OR ANTITUMOR AGENTS | AFFYMAX TECHNOLOGIES N.V. (GB) | 1998-11-24 | — | — | US | disclosed |
| US-5831004-A | Inhibitors of metalloproteases, pharmaceutical compositions comprising same and methods of their use | AFFYMAX TECHNOLOGIES N.V. (GB) | 1998-11-03 | — | — | US | disclosed |
| EP-0832100-A4 | NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE | AFFYMAX TECH NV (AN) | 1998-09-02 | — | — | EP | disclosed |
| EP-0832100-A1 | NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE | AFFYMAX TECHNOLOGIES N.V. (AN) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040204-A1 | NOVEL INHIBITORS OF COLLAGENASE-1 AND STROMELYSIN-I METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE | AFFYMAX TECHNOLOGIES, N.V. (AN) | 1996-12-19 | — | — | WO | disclosed |
| WO-1996040738-A1 | NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE | AFFYMAX TECHNOLOGIES, N.V. (AN) | 1996-12-19 | — | — | WO | disclosed |
| EP-0226896-B1 | LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 1993-09-15 | — | — | EP | disclosed |
| US-4914206-A | ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-04-03 | — | — | US | disclosed |
| US-3984403-A | PAINLESS INTRAMUSCULAR INJECTION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1976-10-05 | — | — | US | disclosed |