⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8776316 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5836964 | 0.93 | — | — | |
| Dimethylamine SCHEMBL8353061 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7926970 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6471381 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7926939 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7936784 | 0.72 | — | — | |
| SCHEMBL6356348 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8460177 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6469882 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5892075-A | Process for synthesizing metallocene compounds | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1999-04-06 | — | — | US | claimed |