⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30526 | 0.60 | — | — | |
| SCHEMBL9858206 | 0.60 | — | — | |
| SCHEMBL21461 | 0.60 | — | — | |
| SCHEMBL29003704 | 0.58 | — | — | |
| Hydrogen Sulfide SCHEMBL25430738 | 0.57 | — | — | |
| Potassium SCHEMBL9719893 | 0.57 | — | — | |
| SCHEMBL10607368 | 0.57 | — | — | |
| Potassium Ion SCHEMBL10351695 | 0.57 | — | — | |
| Methane SCHEMBL21683041 | 0.57 | — | — | |
| SCHEMBL15059044 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8524963-B2 | Solid hydrogenation catalyst | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2013-09-03 | — | — | US | claimed |