⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL930057 | 0.66 | — | — | |
| SCHEMBL2230207 | 0.66 | — | — | |
| SCHEMBL2230812 | 0.63 | — | — | |
| SCHEMBL2059958 | 0.63 | — | — | |
| SCHEMBL3302565 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL10805737 | 0.62 | — | — | |
| SCHEMBL8447326 | 0.61 | — | — | |
| SCHEMBL11405636 | 0.60 | — | — | |
| SCHEMBL2599231 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL6634969 | 0.59 | — | — |
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 2 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-5550132-A | TREATING SEPTIC SHOCK, CACHEXIA, RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISEASE, MULTIPLE SCLEROSIS, AIDS | UNIVERSITY OF NORTH CAROLINA (US) | 1996-08-27 | — | — | US | disclosed |