⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2492850 | 0.73 | — | — | |
| SCHEMBL6652283 | 0.67 | — | — | |
| SCHEMBL6652744 | 0.67 | — | — | |
| SCHEMBL7613818 | 0.66 | — | — | |
| SCHEMBL27825217 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL23625433 | 0.64 | — | — | |
| SCHEMBL7179275 | 0.64 | — | — | |
| SCHEMBL4177337 | 0.64 | — | — | |
| SCHEMBL13644355 | 0.63 | HSD17B10 (0.31) | — | |
| SCHEMBL187141 | 0.62 | ALDH1A1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588061-B1 | DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF | 3M INNOVATIVE PROPERTIES CO (US) | 2018-10-10 | — | — | EP | disclosed |
| EP-2588061-A1 | DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF | 3M Innovative Properties Company (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012003136-A1 | DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2012-01-05 | — | — | WO | disclosed |
| EP-0254185-B1 | (Meth)acrylic acid derivatives of tricyclo[5.2.1.02.6]decanes containing urethane groups | BAYER AG (DE) | 1990-09-19 | — | — | EP | disclosed |