⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29704006 | 0.87 | — | — | |
| SCHEMBL1131740 | 0.87 | — | — | |
| SCHEMBL455733 | 0.87 | — | — | |
| SCHEMBL8511646 | 0.87 | — | — | |
| SCHEMBL9788053 | 0.75 | — | — | |
| SCHEMBL456108 | 0.75 | — | — | |
| Calcium SCHEMBL31084994 | 0.75 | — | — | |
| SCHEMBL8457016 | 0.75 | — | — | |
| SCHEMBL3086042 | 0.75 | — | — | |
| SCHEMBL5671011 | 0.75 | — | — |
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-119017241-A | Automatic polishing equipment for titanium alloy pipe | 江苏沃钛有色金属有限公司 | 2024-11-26 | — | — | CN | disclosed |
| CN-113278849-B | Reinforced and toughened metastable beta titanium alloy and preparation method thereof | 西部超导材料科技股份有限公司 | 2022-12-06 | — | — | CN | disclosed |