⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2454665 | 0.89 | — | — | |
| SCHEMBL2452189 | 0.85 | — | — | |
| SCHEMBL2453786 | 0.81 | — | — | |
| SCHEMBL20573181 | 0.81 | — | — | |
| SCHEMBL29067056 | 0.79 | CYP3A4 (0.33) | — | |
| SCHEMBL28878816 | 0.79 | — | — | |
| SCHEMBL29289474 | 0.78 | — | — | |
| SCHEMBL21357886 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL388140 | 0.76 | — | — | |
| SCHEMBL6064169 | 0.71 | — | — |
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-7141306-B1 | Sol-gel composition and process for coating aerospace alloys | CESSNA AIRCRAFT COMPANY (US) | 2006-11-28 | — | — | US | disclosed |