⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4525902 | 0.77 | CYP2D6 (0.32) | — | |
| SCHEMBL4533777 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL28937234 | 0.70 | HTR2A (0.31) | — | |
| SCHEMBL3418516 | 0.69 | — | — | |
| SCHEMBL18636564 | 0.69 | — | — | |
| SCHEMBL14904437 | 0.69 | — | — | |
| SCHEMBL4515295 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL388479 | 0.67 | — | — | |
| SCHEMBL21591959 | 0.67 | HTR2A (0.40) | — | |
| SCHEMBL2450923 | 0.67 | HTR2A (0.40) | — |
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 |