⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8667595 | 0.87 | — | — | |
| SCHEMBL8670813 | 0.86 | GAA (0.31) | — | |
| SCHEMBL8668509 | 0.83 | AR (0.32) | — | |
| SCHEMBL8670770 | 0.80 | — | — | |
| SCHEMBL8670910 | 0.80 | — | — | |
| SCHEMBL8664667 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL8658385 | 0.74 | — | — | |
| SCHEMBL8665501 | 0.74 | — | — | |
| SCHEMBL8666928 | 0.73 | — | — | |
| SCHEMBL8665899 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5750552-A | ANTIULCER AGENTS | ARAX CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0736527-A1 | Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer | ARAX CO., LTD. (JP) | 1996-10-09 | — | — | EP | disclosed |