⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2541392 | 0.80 | — | — | |
| SCHEMBL676033 | 0.79 | — | — | |
| SCHEMBL2472328 | 0.78 | — | — | |
| SCHEMBL27864533 | 0.78 | — | — | |
| SCHEMBL5367983 | 0.78 | — | — | |
| SCHEMBL28935347 | 0.72 | — | — | |
| SCHEMBL5488956 | 0.67 | OPRM1 (0.31) | — | |
| SCHEMBL705739 | 0.67 | — | — | |
| SCHEMBL3512868 | 0.66 | — | — | |
| SCHEMBL17937891 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0233376-B1 | RADIOPAQUE THERMOPLASTIC RESIN-SILICONE NETWORK RESIN COMPOSITIONS AND MEDICAL-SURGICAL TUBINGS PREPARED THEREFROM | Becton, Dickinson and Company (US) | 1992-01-22 | — | — | EP | disclosed |