⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL891486 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL30362247 | 0.78 | TSHR (0.41) | — | |
| SCHEMBL13291157 | 0.70 | — | — | |
| SCHEMBL16504663 | 0.65 | GPR84 (0.44) | — | |
| SCHEMBL229993 | 0.62 | — | — | |
| SCHEMBL68170 | 0.54 | — | — | |
| SCHEMBL75106 | 0.54 | ALDH1A1 (0.41) | — | |
| SCHEMBL2680065 | 0.54 | — | — | |
| SCHEMBL10711295 | 0.54 | ALDH1A1 (0.32) | — | |
| SCHEMBL30159594 | 0.54 | ALDH1A1 (0.32) | — |
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-6207676-B1 | Bicyclic amines | ZENECA LIMITED (GB) | 2001-03-27 | — | — | US | disclosed |