⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5390903 | 0.75 | — | — | |
| SCHEMBL5384932 | 0.75 | — | — | |
| SCHEMBL5384884 | 0.75 | — | — | |
| SCHEMBL4083360 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5610644 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5390901 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL5384923 | 0.73 | — | — | |
| SCHEMBL5386499 | 0.59 | — | — | |
| SCHEMBL5610603 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL5610599 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1737875-A1 | PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Patents Inc. (US) | 2007-01-03 | — | — | EP | claimed |
| WO-2005108410-A1 | PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-17 | — | — | WO | claimed |