⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9138627 | 0.77 | — | — | |
| SCHEMBL50346 | 0.76 | — | — | |
| SCHEMBL4171832 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9138606 | 0.74 | — | — | |
| SCHEMBL9140019 | 0.74 | GSK3A (0.34) | — | |
| SCHEMBL12831371 | 0.73 | RAB9A (0.35) | — | |
| Acetic Acid SCHEMBL2955582 | 0.73 | KDM4E (0.43) | — | |
| SCHEMBL3070460 | 0.69 | — | — | |
| SCHEMBL3064600 | 0.69 | — | — | |
| Iodide SCHEMBL2379375 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1031133-C | Pyrazolotriazole derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 1996-02-28 | — | — | CN | disclosed |
| US-5475114-A | Angiotensin-11 antagonist; therapeutical agent used for treating hypertension and chronic heart failure | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1995-12-12 | — | — | US | disclosed |
| EP-0646584-A1 | PYRAZOLOTRIAZOLE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-04-05 | — | — | EP | disclosed |
| CN-1069978-A | Pyrazolotriazole derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 1993-03-17 | — | — | CN | disclosed |