⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7596866 | 1.00 | — | — | |
| SCHEMBL11154451 | 1.00 | — | — | |
| SCHEMBL23462150 | 0.00 | — | — | |
| Potassium Ion SCHEMBL23462032 | 0.00 | CA4 (0.50) | — | |
| SCHEMBL23528137 | 0.00 | — | — | |
| SCHEMBL23462252 | 0.00 | — | — | |
| Hydrogen Sulfide SCHEMBL23805181 | 0.00 | — | — | |
| SCHEMBL25434707 | 0.00 | — | — | |
| SCHEMBL25436537 | 0.00 | — | — | |
| SCHEMBL23358113 | 0.00 | — | — |
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-1905858-B1 | Cold-work tool steel article | CRUCIBLE MATERIALS CORP (US) | 2012-02-22 | — | — | EP | claimed |