⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8731571 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8167103 | 0.72 | — | — | |
| SCHEMBL8734561 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL8166765 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL8856025 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL8167101 | 0.56 | — | — | |
| SCHEMBL2232879 | 0.54 | — | — | |
| SCHEMBL6627887 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL1040865 | 0.52 | — | — | |
| SCHEMBL3838183 | 0.52 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7163907-B1 | Aluminum-free monocyclopentadienyl metallocene catalysts for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-01-16 | — | — | US | disclosed |