⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4435865 | 0.95 | — | — | |
| SCHEMBL8989644 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL5898864 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL8157594 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL6344137 | 0.92 | — | — | |
| Dimethylamine SCHEMBL6351204 | 0.87 | — | — | |
| Isopropyl Alcohol SCHEMBL6353297 | 0.83 | — | — | |
| SCHEMBL7717905 | 0.81 | — | — | |
| SCHEMBL9190045 | 0.80 | — | — | |
| SCHEMBL27269841 | 0.79 | — | — |
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-0716092-B1 | Organic transition metal compound and process for the preparation of polyolefin using same | TOSOH CORP (JP) | 2000-10-25 | — | — | EP | disclosed |
| US-5770666-A | METALLOCENE | TOSOH CORPORATION (JP) | 1998-06-23 | — | — | US | disclosed |
| EP-0716092-A1 | Organic transition metal compound and process for the preparation of polyolefin using same | TOSOH CORPORATION (JP) | 1996-06-12 | — | — | EP | disclosed |