⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL819796 | 0.62 | — | — | |
| SCHEMBL761345 | 0.53 | — | — | |
| SCHEMBL8835287 | 0.51 | — | — | |
| SCHEMBL16089589 | 0.49 | — | — | |
| SCHEMBL16287604 | 0.49 | — | — | |
| SCHEMBL1262495 | 0.49 | — | — | |
| SCHEMBL16807944 | 0.48 | — | — | |
| SCHEMBL16288057 | 0.48 | — | — | |
| SCHEMBL18855925 | 0.48 | — | — | |
| SCHEMBL10717160 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0970964-A2 | Method for producing titanium complex | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-01-12 | — | — | EP | disclosed |