⚠ 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 SCHEMBL4559530 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4557557 | 0.63 | — | — | |
| SCHEMBL5521646 | 0.63 | — | — | |
| SCHEMBL7642888 | 0.62 | — | — | |
| SCHEMBL7552832 | 0.62 | — | — | |
| SCHEMBL7034202 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL4558333 | 0.61 | — | — | |
| SCHEMBL7899414 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL3663938 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL3123208 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7163907-B1 | Aluminum-free monocyclopentadienyl metallocene catalysts for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-01-16 | — | — | US | disclosed |
| WO-1992000333-A2 | ALUMINUM-FREE MONOCYCLOPENTADIENYL METALLOCENE CATALYSTS FOR OLEFIN POLYMERIZATION | EXXON CHEMICAL PATENTS INC. (US) | 1992-01-09 | — | — | WO | disclosed |