⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7180208 | 1.00 | — | — | |
| SCHEMBL27708404 | 0.97 | MAPK10 (0.44) | — | |
| SCHEMBL12588737 | 0.81 | — | — | |
| SCHEMBL8537626 | 0.79 | — | — | |
| SCHEMBL8402032 | 0.79 | — | — | |
| SCHEMBL4507427 | 0.78 | — | — | |
| SCHEMBL4507425 | 0.78 | — | — | |
| SCHEMBL12700930 | 0.78 | — | — | |
| SCHEMBL4507423 | 0.78 | — | — | |
| SCHEMBL9393594 | 0.77 | TDP1 (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0749429-B1 | 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS | HOECHST AG (DE) | 1999-06-30 | — | — | EP | claimed |
| US-5814627-A | ANTIINFLAMMATORY AGENTS, ASTHMA; RHEUMATIC AND AUTOIMMUNE DISEASES; INHIBITORS OF LEUKOTRIENES, CYTOKINES, E.G. INTERLEUKINS, OXYGEN RADICALS AND PROTEASES | HOECHST AKTIENEGESELLSCHAFT (DE) | 1998-09-29 | — | — | US | claimed |
| US-20240308994-A1 | ISOXAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND USE THEREOF | INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) | 2024-09-19 | — | — | US | disclosed |
| EP-0821960-B1 | Use of xanthine derivatives combined with a 5-substituted-isoxazole-4-carboxamide derivative and/or a 2-cyano-3-hydroxycrotonamide derivative for the modulation of apoptosis | HOECHST AG (DE) | 2003-04-09 | — | — | EP | disclosed |
| US-5814627-A | ANTIINFLAMMATORY AGENTS, ASTHMA; RHEUMATIC AND AUTOIMMUNE DISEASES; INHIBITORS OF LEUKOTRIENES, CYTOKINES, E.G. INTERLEUKINS, OXYGEN RADICALS AND PROTEASES | HOECHST AKTIENEGESELLSCHAFT (DE) | 1998-09-29 | — | — | US | disclosed |
| US-5773470-A | TREATING RHEUMATIC DISEASES, AUTOIMMUNE DISEASES AND REJECTION REACTIONS DUE TO ORGAN TRANSPLANTING | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-06-30 | — | — | US | disclosed |
| US-5747664-A | N-Phenyl-2-cyano-3-hydroxycrotonamide derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-05-05 | — | — | US | disclosed |
| WO-1994024095-A1 | IMMUNOSUPPRESSIVE AGENTS | ABBOTT LABORATORIES (US) | 1994-10-27 | — | — | WO | disclosed |