⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5612854 | 0.80 | HTR2C (0.38) | — | |
| SCHEMBL5593821 | 0.80 | HTR2A (0.38) | — | |
| SCHEMBL2078500 | 0.80 | HTR2C (0.43) | — | |
| SCHEMBL5613036 | 0.78 | HTR2A (0.34) | — | |
| SCHEMBL5613118 | 0.75 | TXNRD1 (0.33) | — | |
| SCHEMBL5604395 | 0.71 | STING1 (0.31) | — | |
| SCHEMBL5613205 | 0.70 | DRD2 (0.43) | — | |
| SCHEMBL5612794 | 0.66 | — | — | |
| SCHEMBL5604265 | 0.66 | HTR2C (0.31) | — | |
| SCHEMBL5613083 | 0.63 | USP7 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007140213-A1 | PYRIDOAZEPINE DERIVATIVES | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2007-12-06 | — | — | WO | disclosed |