⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23987179 | 0.84 | — | — | |
| SCHEMBL23397202 | 0.84 | — | — | |
| SCHEMBL19273395 | 0.81 | — | — | |
| SCHEMBL19047185 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL15114149 | 0.77 | — | — | |
| SCHEMBL15114160 | 0.71 | — | — | |
| SCHEMBL14746054 | 0.69 | ADH1B (0.41) | — | |
| SCHEMBL29000883 | 0.69 | — | — | |
| SCHEMBL23324830 | 0.68 | — | — | |
| SCHEMBL15114145 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744118-A | MIXING ABSORBENT RESIN AND METAL SALTS, SWELLING AND GELATION, ADJUSTMENT OF PH, PYROLYSIS AND ROASTING | SHOWA DENKO K.K. (JP) | 1998-04-28 | — | — | US | disclosed |