⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8373400 | 0.79 | — | — | |
| SCHEMBL277630 | 0.78 | — | — | |
| SCHEMBL8372179 | 0.73 | — | — | |
| SCHEMBL4392390 | 0.73 | — | — | |
| SCHEMBL8373899 | 0.73 | — | — | |
| SCHEMBL2324625 | 0.71 | — | — | |
| SCHEMBL4391175 | 0.71 | — | — | |
| SCHEMBL8373382 | 0.69 | — | — | |
| SCHEMBL8382135 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL2879805 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0970964-B1 | Method for producing a titanium complex | SUMITOMO CHEMICAL CO (JP) | 2004-04-21 | — | — | EP | disclosed |
| US-6090961-A | Method for producing titanium complex | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-07-18 | — | — | US | disclosed |
| EP-0970964-A2 | Method for producing titanium complex | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-01-12 | — | — | EP | disclosed |