⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8087999 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27632189 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL8615173 | 0.76 | — | — | |
| SCHEMBL8086741 | 0.76 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL27487642 | 0.74 | — | — | |
| SCHEMBL31542513 | 0.74 | — | — | |
| SCHEMBL8079712 | 0.73 | NOS3 (0.33) | — | |
| SCHEMBL11179567 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8357823 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8360842 | 0.70 | — | — |
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-6046346-A | Production of alkali metal cyclopentadienylide and production of dihalobis (η-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2000-04-04 | — | — | US | disclosed |
| EP-0926150-A2 | Production of alkali metal cyclopentadienylide and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide | Honshu Chemical Industry Co. Ltd. (JP) | 1999-06-30 | — | — | EP | disclosed |