⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9467968 | 0.84 | — | — | |
| SCHEMBL9706544 | 0.82 | PPARG (0.32) | — | |
| SCHEMBL8550098 | 0.77 | MEN1 (0.39) | — | |
| SCHEMBL9467962 | 0.74 | AGTR1 (0.34) | — | |
| SCHEMBL8549281 | 0.73 | KDM4E (0.35) | — | |
| SCHEMBL9616425 | 0.69 | — | — | |
| SCHEMBL8548499 | 0.68 | MEN1 (0.36) | — | |
| SCHEMBL9737687 | 0.67 | AGTR1 (0.47) | — | |
| SCHEMBL9318424 | 0.67 | AGTR2 (0.38) | — | |
| SCHEMBL8550091 | 0.66 | MEN1 (0.38) | — |
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-5252593-A | Hypotensive agents, cognition activators | GLAXO GROUP LIMITED (GB) | 1993-10-12 | — | — | US | disclosed |