⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL84834 | 0.73 | — | — | |
| SCHEMBL22074334 | 0.70 | PKM (0.36) | — | |
| SCHEMBL21741426 | 0.69 | — | — | |
| SCHEMBL13180379 | 0.68 | — | — | |
| SCHEMBL12411186 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL27162717 | 0.67 | — | — | |
| SCHEMBL4844560 | 0.65 | — | — | |
| SCHEMBL13356973 | 0.65 | — | — | |
| SCHEMBL3451050 | 0.65 | — | — | |
| SCHEMBL13045345 | 0.64 | ESR1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1118468-C | Pyrazolopyrimidines and pyrazolotriazines | HOFFMANN LA ROCHE (CH) | 2003-08-20 | — | — | CN | disclosed |
| CN-1236780-A | Pyrazolopyrimidines and pyrazolotriazines | HOFFMANN LA ROCHE (CH) | 1999-12-01 | — | — | CN | disclosed |