⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49113 | 0.98 | — | — | |
| SCHEMBL28704054 | 0.95 | — | — | |
| Butane SCHEMBL4266034 | 0.90 | — | — | |
| SCHEMBL677943 | 0.82 | — | — | |
| SCHEMBL9395220 | 0.78 | — | — | |
| Styrene SCHEMBL18042449 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL2490666 | 0.77 | — | — | |
| SCHEMBL5014857 | 0.76 | — | — | |
| SCHEMBL9698080 | 0.76 | — | — | |
| SCHEMBL7759273 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115418059-A | High-flame-retardant alloy thermoplastic plate for aviation | 浙江数合新材料有限公司 | 2022-12-02 | — | — | CN | disclosed |
| CN-115093658-A | Medical alloy thermoplastic plate with flame-retardant and anti-corrosion effects | 浙江数合新材料有限公司 | 2022-09-23 | — | — | CN | disclosed |