⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15047 | 0.94 | — | — | |
| SCHEMBL13208844 | 0.94 | — | — | |
| SCHEMBL8227653 | 0.94 | — | — | |
| Iodide SCHEMBL5874467 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL22022 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL4338059 | 0.89 | — | — | |
| SCHEMBL6130539 | 0.89 | — | — | |
| SCHEMBL7791323 | 0.89 | — | — | |
| SCHEMBL2035844 | 0.89 | — | — | |
| Water SCHEMBL1245230 | 0.89 | — | — |
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-0466730-B1 | GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS | THE UPJOHN COMPANY (US) | 1993-07-21 | — | — | EP | disclosed |
| US-3985564-A | Photographic element and process for developing | EASTMAN KODAK COMPANY (US) | 1976-10-12 | — | — | US | disclosed |