⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7891566 | 0.81 | — | — | |
| SCHEMBL3083534 | 0.78 | — | — | |
| SCHEMBL677370 | 0.76 | — | — | |
| SCHEMBL3003608 | 0.73 | — | — | |
| SCHEMBL931791 | 0.70 | — | — | |
| SCHEMBL2623436 | 0.70 | — | — | |
| Butanedione SCHEMBL9878247 | 0.70 | TSHR (0.58) | — | |
| Butanedione SCHEMBL1867426 | 0.68 | TSHR (1.00) | — | |
| Butanedione SCHEMBL20472 | 0.68 | — | — | |
| Butanedione SCHEMBL11861002 | 0.67 | TSHR (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230132763-A1 | FUCOSYLTRANSFERASE SPECIFIC INHIBITION USING FUCOSE MIMETICS | UNIVERSITY OF FLORENCE (IT) | 2023-05-04 | — | — | US | disclosed |
| US-6307101-B1 | AMIDES SUBSTITUTED WITH MERCAPTOALCOHOL OR MERCAPTOKETONE GROUPS | CAMPBELL DAVID A (US) | 2001-10-23 | — | — | US | disclosed |
| EP-0832100-B1 | NOVEL INHIBITORS OF METALLOPROTEASES AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | AFFYMAX TECH NV (AN) | 2000-04-05 | — | — | EP | 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-0129527-A2 | Vulcanisable rubber composition and compounds useful as stabilising agents for rubber vulcanisates | MONSANTO EUROPE S.A./N.V. (BE) | 1984-12-27 | — | — | EP | disclosed |