⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2221620 | 0.79 | — | — | |
| SCHEMBL4270528 | 0.75 | LMNA (0.42) | — | |
| SCHEMBL1697441 | 0.72 | — | — | |
| SCHEMBL118308 | 0.70 | — | — | |
| SCHEMBL9697894 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL317592 | 0.69 | — | — | |
| SCHEMBL27633209 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28194567 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL2346307 | 0.67 | — | — | |
| SCHEMBL4010701 | 0.67 | — | — |
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-5648521-A | DECYCLIZATION, OXIDATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-07-15 | — | — | US | disclosed |