⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL534973 | 0.97 | — | — | |
| Ethylene SCHEMBL28805812 | 0.93 | — | — | |
| SCHEMBL27851265 | 0.79 | — | — | |
| SCHEMBL7099980 | 0.78 | OPRM1 (0.32) | — | |
| Methylamine SCHEMBL28030600 | 0.77 | — | — | |
| SCHEMBL538096 | 0.77 | — | — | |
| SCHEMBL27623200 | 0.76 | — | — | |
| SCHEMBL3684966 | 0.76 | — | — | |
| SCHEMBL3451561 | 0.76 | — | — | |
| SCHEMBL18151479 | 0.75 | OPRM1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115678018-B | Polyurethane-organic silicon resin prepolymer and preparation method and application thereof | 海洋化工研究院有限公司 | 2023-10-20 | — | — | CN | disclosed |