⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29010557 | 0.84 | — | — | |
| SCHEMBL27958069 | 0.77 | — | — | |
| SCHEMBL3978689 | 0.76 | — | — | |
| SCHEMBL28372507 | 0.75 | — | — | |
| SCHEMBL16714727 | 0.72 | CYP3A4 (0.30) | — | |
| SCHEMBL5139935 | 0.69 | — | — | |
| SCHEMBL286662 | 0.69 | — | — | |
| SCHEMBL10892753 | 0.69 | — | — | |
| SCHEMBL28442427 | 0.69 | — | — | |
| SCHEMBL249890 | 0.69 | OPRM1 (0.30) | — |
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-118878826-A | Preparation method of reactive temperature-resistant hyperbranched organic silicon resin containing chlorinated hydrocarbon groups | 南京大学 | 2024-11-01 | — | — | CN | disclosed |