⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4559192 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6465545 | 0.73 | — | — | |
| SCHEMBL16650404 | 0.72 | — | — | |
| SCHEMBL18878827 | 0.69 | — | — | |
| SCHEMBL16650645 | 0.69 | — | — | |
| SCHEMBL16650690 | 0.69 | — | — | |
| SCHEMBL16650779 | 0.68 | — | — | |
| SCHEMBL18878829 | 0.68 | — | — | |
| SCHEMBL16650738 | 0.68 | — | — | |
| SCHEMBL16651144 | 0.68 | — | — |
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-0672688-B2 | Aluminum-free monocyclopentadienyl metallocene catalysts for olefin polymerization | EXXONMOBIL CHEM PATENTS INC (US) | 2002-04-17 | — | — | EP | disclosed |
| EP-0672688-B1 | Aluminum-free monocyclopentadienyl metallocene catalysts for olefin polymerization | EXXON CHEMICAL PATENTS INC (US) | 1996-09-18 | — | — | EP | disclosed |