⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27441941 | 0.65 | — | — | |
| SCHEMBL28285613 | 0.65 | — | — | |
| SCHEMBL27504389 | 0.65 | — | — | |
| SCHEMBL27320806 | 0.65 | — | — | |
| SCHEMBL7659962 | 0.65 | — | — | |
| Cyanide SCHEMBL28266192 | 0.65 | — | — | |
| Cyanide SCHEMBL28136520 | 0.65 | — | — | |
| SCHEMBL5095651 | 0.63 | — | — | |
| SCHEMBL34471497 | 0.61 | — | — | |
| SCHEMBL7659827 | 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-0808304-B1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-12-27 | — | — | EP | disclosed |
| US-5916905-A | ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS | G. D. SEARLE & CO. (US) | 1999-06-29 | — | — | US | disclosed |
| US-5686470-A | 2, 3-substituted pyridines for the treatment of inflammation | WEIER RICHARD M (US) | 1997-11-11 | — | — | US | disclosed |