⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8553321 | 0.90 | AGTR2 (0.63) | — | |
| SCHEMBL8654166 | 0.89 | AGTR2 (0.47) | — | |
| SCHEMBL8969830 | 0.87 | — | — | |
| SCHEMBL8557077 | 0.83 | AGTR2 (0.62) | — | |
| SCHEMBL7019863 | 0.81 | AGTR1 (0.52) | — | |
| SCHEMBL8551982 | 0.80 | AGTR2 (0.62) | — | |
| SCHEMBL8970010 | 0.79 | AGTR2 (0.60) | — | |
| SCHEMBL8550486 | 0.79 | AGTR2 (0.56) | — | |
| SCHEMBL8553199 | 0.79 | AGTR2 (0.62) | — | |
| SCHEMBL7020942 | 0.79 | AGTR1 (0.57) | — |
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-0503162-B1 | Azole derivatives, process for their preparation and their application | HOECHST AG (DE) | 1998-04-22 | — | — | EP | disclosed |
| EP-0503162-A1 | Azole derivatives, process for their preparation and their application | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-09-16 | — | — | EP | disclosed |