⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20128367 | 0.84 | — | — | |
| SCHEMBL20128343 | 0.73 | KDM4E (0.38) | — | |
| SCHEMBL20128354 | 0.68 | TP53 (0.32) | — | |
| SCHEMBL4907692 | 0.67 | TP53 (0.39) | — | |
| SCHEMBL20128362 | 0.62 | GPR84 (0.33) | — | |
| SCHEMBL6229016 | 0.62 | CYP2A6 (0.41) | — | |
| SCHEMBL20128344 | 0.61 | NOS3 (0.33) | — | |
| SCHEMBL5865099 | 0.60 | GABRA1 (0.38) | — | |
| SCHEMBL20128368 | 0.58 | — | — | |
| SCHEMBL7063569 | 0.58 | — | — |
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-20180127597-A1 | MOLD RESISTANT FORMABLE CORK | THE BOEING COMPANY (US) | 2018-05-10 | — | — | US | disclosed |