⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6818288 | 0.91 | — | — | |
| SCHEMBL6817757 | 0.90 | — | — | |
| SCHEMBL6818661 | 0.86 | ALDH1A1 (0.39) | — | |
| SCHEMBL6821556 | 0.85 | — | — | |
| SCHEMBL6815529 | 0.82 | — | — | |
| SCHEMBL6818894 | 0.81 | PIK3CA (0.43) | — | |
| SCHEMBL6814575 | 0.80 | — | — | |
| SCHEMBL6813931 | 0.79 | — | — | |
| SCHEMBL6818492 | 0.78 | PIK3CA (0.42) | — | |
| SCHEMBL6822425 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004031189-A1 | PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2004-04-15 | — | — | WO | claimed |
| WO-2004031189-A1 | PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2004-04-15 | — | — | WO | disclosed |