⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4993704 | 1.00 | — | — | |
| SCHEMBL1797081 | 0.70 | — | — | |
| SCHEMBL2974460 | 0.67 | — | — | |
| SCHEMBL2974309 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL2971655 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL2970770 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL2962379 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL2972603 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL218305 | 0.67 | — | — | |
| SCHEMBL1627352 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0719130-A1 | COMPLEX CALCIUM AND FLUORIDE CONTAINING MOUTH RINSES, DENTIFRICES, AND CHEWABLE TABLETS | AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) | 1996-07-03 | — | — | EP | disclosed |
| WO-1995007685-A1 | COMPLEX CALCIUM AND FLUORIDE CONTAINING MOUTH RINSES, DENTIFRICES, AND CHEWABLE TABLETS | AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) | 1995-03-23 | — | — | WO | disclosed |
| EP-0130934-B1 | COMPLEXING AGENTS, COMPLEXES AND COMPLEX SALTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1987-08-05 | — | — | EP | disclosed |