⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL3366274 | 0.94 | — | — | |
| Fluoride SCHEMBL27762975 | 0.94 | — | — | |
| SCHEMBL29222238 | 0.93 | — | — | |
| Fluoride SCHEMBL7567635 | 0.93 | — | — | |
| Fluoride SCHEMBL4752881 | 0.93 | — | — | |
| SCHEMBL8558810 | 0.93 | — | — | |
| SCHEMBL11322008 | 0.93 | — | — | |
| Fluoride SCHEMBL11426308 | 0.93 | — | — | |
| Fluoride SCHEMBL11426305 | 0.93 | — | — | |
| SCHEMBL97358 | 0.93 | — | — |
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-0930865-B1 | DENTAL RESTORATION COMPOSITION AND METHOD | MUEHLBAUER WOLFGANG CARL FRIED (DE) | 2002-06-12 | — | — | EP | claimed |
| US-6281271-B1 | BLEND OF POLYMER AND FILLER | IVOCLAR AG (LI) | 2001-08-28 | — | — | US | disclosed |