⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL322442 | 0.95 | — | — | |
| SCHEMBL4096226 | 0.90 | — | — | |
| SCHEMBL27990520 | 0.90 | — | — | |
| SCHEMBL29216400 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL11222006 | 0.86 | — | — | |
| SCHEMBL286717 | 0.86 | — | — | |
| SCHEMBL11175415 | 0.86 | — | — | |
| Cyclohexane SCHEMBL4631144 | 0.82 | CES2 (0.30) | — | |
| SCHEMBL4543233 | 0.79 | — | — | |
| SCHEMBL547975 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1053213-B1 | ASSOCIATION BASED ON MICROFIBRILS AND MINERAL PARTICLES, PREPARATION AND USES | RHODIA CHIMIE SA (FR) | 2002-05-22 | — | — | EP | claimed |