⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7992417 | 0.70 | — | — | |
| SCHEMBL28140680 | 0.69 | — | — | |
| SCHEMBL6364119 | 0.64 | — | — | |
| SCHEMBL8448492 | 0.57 | — | — | |
| SCHEMBL7762160 | 0.55 | — | — | |
| SCHEMBL3221871 | 0.54 | TSHR (0.42) | — | |
| SCHEMBL1921131 | 0.54 | PYCR1 (0.50) | — | |
| SCHEMBL12347748 | 0.51 | POLB (0.35) | — | |
| SCHEMBL22863567 | 0.50 | PYCR1 (0.34) | — | |
| SCHEMBL6438714 | 0.48 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0942909-A1 | BICYCLIC AMINE DERIVATIVES | ZENECA LIMITED (GB) | 1999-09-22 | — | — | EP | disclosed |
| WO-1998022463-A1 | BICYCLIC AMINE DERIVATIVES | ZENECA LIMITED (GB) | 1998-05-28 | — | — | WO | disclosed |