⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL108126 | 0.93 | — | — | |
| SCHEMBL6048780 | 0.90 | CYP1A2 (0.30) | — | |
| SCHEMBL8445049 | 0.90 | CYP1A2 (0.30) | — | |
| SCHEMBL105720 | 0.88 | — | — | |
| SCHEMBL6048925 | 0.87 | — | — | |
| SCHEMBL6048781 | 0.86 | — | — | |
| SCHEMBL6048871 | 0.86 | — | — | |
| SCHEMBL108154 | 0.84 | — | — | |
| SCHEMBL106307 | 0.84 | CYP1A2 (0.31) | — | |
| SCHEMBL2369085 | 0.82 | CYP1A2 (0.33) | — |
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-0844260-A1 | Olefin polymerization catalyst, prepolymerized catalyst, and olefin polymerization process | Mitsui Chemicals, Inc. (JP) | 1998-05-27 | — | — | EP | disclosed |