⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9138606 | 0.98 | — | — | |
| Iodide SCHEMBL2379375 | 0.80 | — | — | |
| SCHEMBL50346 | 0.79 | — | — | |
| SCHEMBL3077441 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28556945 | 0.78 | KLK1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL9139780 | 0.77 | — | — | |
| Acetic Acid SCHEMBL2955582 | 0.76 | KDM4E (0.43) | — | |
| SCHEMBL9138686 | 0.76 | — | — | |
| SCHEMBL12831371 | 0.76 | RAB9A (0.35) | — | |
| SCHEMBL6684465 | 0.76 | CCNA2 (0.33) | — |
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-20090105261-A1 | Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same | GREENPHARMA (FR) | 2009-04-23 | — | — | US | disclosed |
| US-20060106019-A1 | Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same | GREENPHARMA (FR) | 2006-05-18 | — | — | US | disclosed |