⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5391892 | 0.95 | — | — | |
| Fluoride Ion SCHEMBL5401339 | 0.95 | — | — | |
| SCHEMBL5412243 | 0.77 | — | — | |
| SCHEMBL5415557 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5468431 | 0.75 | — | — | |
| Fluoride SCHEMBL5414521 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5409947 | 0.75 | — | — | |
| SCHEMBL5396248 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL818459 | 0.72 | — | — | |
| SCHEMBL4872258 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7307177-B2 | Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-12-11 | — | — | US | claimed |
| US-20060135353-A1 | Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2006-06-22 | — | — | US | claimed |
| US-7307177-B2 | Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-12-11 | — | — | US | disclosed |
| US-20060135353-A1 | Metallocene complexes, their synthesis and use in catalyst systems for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2006-06-22 | — | — | US | disclosed |