⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15135970 | 0.62 | — | — | |
| SCHEMBL27771346 | 0.55 | — | — | |
| SCHEMBL3508350 | 0.50 | — | — | |
| SCHEMBL20057444 | 0.50 | — | — | |
| SCHEMBL4052550 | 0.50 | — | — | |
| SCHEMBL887915 | 0.50 | — | — | |
| SCHEMBL5853801 | 0.50 | — | — | |
| SCHEMBL8176946 | 0.50 | — | — | |
| Hydrogen Peroxide SCHEMBL17513038 | 0.47 | — | — | |
| SCHEMBL433689 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4171735-B1 | TREATMENT PLANNING SYSTEM | VAN DEN HEUVEL FRANK (BE) | 2023-09-06 | — | — | EP | disclosed |
| US-5837185-A | Preparation of boat hulls | LIVESAY MARK (US) | 1998-11-17 | — | — | US | disclosed |