⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8971013 | 0.89 | AGTR2 (0.66) | — | |
| SCHEMBL7608268 | 0.89 | — | — | |
| SCHEMBL7608145 | 0.88 | — | — | |
| SCHEMBL8556715 | 0.87 | — | — | |
| SCHEMBL3625358 | 0.83 | AGTR2 (0.61) | — | |
| SCHEMBL8970000 | 0.82 | AGTR1 (0.70) | — | |
| SCHEMBL8553199 | 0.80 | AGTR2 (0.62) | — | |
| SCHEMBL8550486 | 0.80 | AGTR2 (0.56) | — | |
| SCHEMBL8970010 | 0.80 | AGTR2 (0.60) | — | |
| SCHEMBL8910295 | 0.80 | AGTR1 (0.58) | — |
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-5482957-A | Azole derivatives, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-01-09 | — | — | US | disclosed |