⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9695678 | 0.89 | — | — | |
| SCHEMBL820238 | 0.87 | — | — | |
| SCHEMBL9695828 | 0.87 | — | — | |
| SCHEMBL9696309 | 0.75 | — | — | |
| SCHEMBL18984675 | 0.71 | — | — | |
| SCHEMBL2179 | 0.71 | — | — | |
| SCHEMBL9128187 | 0.71 | — | — | |
| SCHEMBL9998309 | 0.71 | — | — | |
| SCHEMBL9623134 | 0.71 | — | — | |
| SCHEMBL5867087 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0490543-A2 | Titanium-boron-oxide, synthetic materials based thereon and method of preparing the same | Asaoka, Makiko (JP) | 1992-06-17 | — | — | EP | disclosed |
| US-5064629-A | Titanium-boron-oxide, synthetic materials based thereon and method of preparing the same | Asaoka, Makiki (JP) | 1991-11-12 | — | — | US | disclosed |