⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17514533 | 0.73 | SELL (0.32) | — | |
| SCHEMBL18912045 | 0.72 | TAAR1 (0.34) | — | |
| SCHEMBL19204657 | 0.72 | TAAR1 (0.43) | — | |
| SCHEMBL9336 | 0.70 | SELL (0.33) | — | |
| SCHEMBL12428890 | 0.70 | SELL (0.33) | — | |
| SCHEMBL17358649 | 0.69 | TAAR1 (0.40) | — | |
| SCHEMBL3090749 | 0.69 | SELL (0.38) | — | |
| SCHEMBL6026539 | 0.69 | RAPGEF4 (0.35) | — | |
| SCHEMBL21253248 | 0.67 | NOS3 (0.34) | — | |
| SCHEMBL26938483 | 0.67 | TAAR1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180125849-A1 | PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS | NOVARTIS AG (CH) | 2018-05-10 | — | — | US | disclosed |