⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9596938 | 0.78 | — | — | |
| SCHEMBL5460292 | 0.66 | — | — | |
| SCHEMBL23290132 | 0.66 | — | — | |
| SCHEMBL2230204 | 0.66 | — | — | |
| SCHEMBL3064631 | 0.65 | — | — | |
| SCHEMBL11369100 | 0.63 | — | — | |
| SCHEMBL28253540 | 0.63 | — | — | |
| SCHEMBL8688530 | 0.62 | — | — | |
| SCHEMBL30221912 | 0.62 | — | — | |
| SCHEMBL8447327 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0766691-B1 | HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES | MACRONEX INC (US) | 1999-11-10 | — | — | EP | disclosed |
| US-5679684-A | INTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS, NERVOUS SYSTEM DISORDERS, AIDS | MACRONEX, INC. (US) | 1997-10-21 | — | — | US | disclosed |
| US-5550132-A | TREATING SEPTIC SHOCK, CACHEXIA, RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISEASE, MULTIPLE SCLEROSIS, AIDS | UNIVERSITY OF NORTH CAROLINA (US) | 1996-08-27 | — | — | US | disclosed |