⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL8755204 | 1.00 | — | — | |
| SCHEMBL578482 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL549172 | 0.91 | — | — | |
| Bromide SCHEMBL5395225 | 0.91 | — | — | |
| Fluoride SCHEMBL5396239 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL811854 | 0.91 | — | — | |
| Fluoride SCHEMBL1130829 | 0.91 | — | — | |
| SCHEMBL4870868 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL5084343 | 0.91 | — | — | |
| SCHEMBL8662231 | 0.91 | — | — |
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 |