⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4534640 | 1.00 | — | — | |
| SCHEMBL4527471 | 0.73 | — | — | |
| SCHEMBL4525865 | 0.73 | GABRR1 (0.30) | — | |
| SCHEMBL4525862 | 0.73 | GABRR1 (0.30) | — | |
| SCHEMBL4527468 | 0.73 | — | — | |
| SCHEMBL918780 | 0.71 | — | — | |
| SCHEMBL1136739 | 0.71 | — | — | |
| SCHEMBL918782 | 0.71 | — | — | |
| SCHEMBL16927023 | 0.69 | — | — | |
| SCHEMBL16927021 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7507480-B2 | Corrosion-resistant metal surfaces | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2009-03-24 | — | — | US | disclosed |
| US-20060269760-A1 | Corrosion-resistant metal surfaces | ENERGY, UNITED STATES DEPARTMENT OF | 2006-11-30 | — | — | US | disclosed |