⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5677250 | 0.83 | — | — | |
| SCHEMBL11297031 | 0.83 | EEF2K (0.32) | — | |
| SCHEMBL5509252 | 0.81 | — | — | |
| SCHEMBL9373809 | 0.78 | — | — | |
| SCHEMBL10607914 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL3677431 | 0.74 | NQO1 (0.31) | — | |
| SCHEMBL5848037 | 0.70 | — | — | |
| SCHEMBL1305504 | 0.70 | — | — | |
| SCHEMBL5565070 | 0.69 | — | — | |
| SCHEMBL465869 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050009687-A1 | Titanium alkoxide catalysts for polymerization of cyclic esters and methods of polymerization | NATIONAL SCIENCE FOUNDATION | 2005-01-13 | — | — | US | claimed |
| US-20050009687-A1 | Titanium alkoxide catalysts for polymerization of cyclic esters and methods of polymerization | NATIONAL SCIENCE FOUNDATION | 2005-01-13 | — | — | US | disclosed |