⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8486558 | 0.84 | — | — | |
| SCHEMBL27489533 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL27344523 | 0.79 | — | — | |
| SCHEMBL27464646 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL2483218 | 0.71 | MAPK1 (0.37) | — | |
| SCHEMBL9811857 | 0.70 | — | — | |
| SCHEMBL2440098 | 0.70 | — | — | |
| SCHEMBL9210204 | 0.67 | PGK1 (0.33) | — | |
| SCHEMBL2439017 | 0.64 | CNR1 (0.44) | — | |
| SCHEMBL1121775 | 0.64 | ESR1 (0.46) | — |
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-1122033-C | Triazolopurine derivatives, pharmaceutical compositions containing the same | OTSUKE PHARMACEUTICAL FACTORY (JP) | 2003-09-24 | — | — | CN | disclosed |
| CN-1301266-A | Triazolopurine derivatives, pharmaceutical composition containing the same, adenosine A3 receptor affinity agent, and asthma therapeutic agent | OTSUKA PHARMACEUITCAL FACTORY (JP) | 2001-06-27 | — | — | CN | disclosed |
| CN-1046730-C | Pyrazolo [1,5-a ] pyrimidine derivatives | OTSUKA PHARMA CO LTD (JP) | 1999-11-24 | — | — | CN | disclosed |
| CN-1131948-A | Pyrazolo [1, 5-a ] pyrimidine derivatives | OTSUKA PHARMA CO LTD (JP) | 1996-09-25 | — | — | CN | disclosed |