⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8678943 | 0.99 | — | — | |
| SCHEMBL8681317 | 0.91 | — | — | |
| SCHEMBL8679617 | 0.90 | — | — | |
| SCHEMBL8681261 | 0.89 | — | — | |
| SCHEMBL8679078 | 0.88 | — | — | |
| SCHEMBL8677962 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL8681320 | 0.82 | — | — | |
| SCHEMBL138390 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8679623 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL8681267 | 0.81 | — | — |
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-5767300-A | Metallocene compound | TARGOR GMBH (DE) | 1998-06-16 | — | — | US | disclosed |