⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15808698 | 0.90 | DNM1 (0.71) | — | |
| SCHEMBL15808740 | 0.88 | DNM1 (0.77) | — | |
| SCHEMBL15808708 | 0.88 | DNM1 (0.77) | — | |
| SCHEMBL15808738 | 0.88 | DNM1 (0.77) | — | |
| Butylamine SCHEMBL134519 | 0.86 | DNM1 (0.62) | — | |
| Butylamine SCHEMBL134518 | 0.86 | — | — | |
| Butylamine SCHEMBL2504588 | 0.86 | — | — | |
| Butylamine SCHEMBL8352628 | 0.86 | DNM1 (0.71) | — | |
| Butylamine SCHEMBL8559 | 0.86 | — | — | |
| Butylamine SCHEMBL29261186 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150318073-A1 | TALC COMPOSITION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2015-11-05 | — | — | US | disclosed |
| EP-2936501-A1 | TALC COMPOSITION | Imerys Talc Europe (FR) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014096203-A1 | TALC COMPOSITION | IMERYS TALC EUROPE (FR) | 2014-06-26 | — | — | WO | disclosed |