⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26791789 | 0.86 | MTNR1A (0.46) | — | |
| SCHEMBL5597185 | 0.83 | MTNR1A (0.49) | — | |
| SCHEMBL5596894 | 0.81 | MTNR1A (0.43) | — | |
| SCHEMBL5596387 | 0.78 | MTNR1A (0.47) | — | |
| SCHEMBL16001857 | 0.78 | MTNR1A (0.46) | — | |
| SCHEMBL256673 | 0.78 | — | — | |
| SCHEMBL11682924 | 0.78 | MTNR1A (0.50) | — | |
| Hydrochloric Acid SCHEMBL28162204 | 0.76 | — | — | |
| SCHEMBL21765885 | 0.74 | MTNR1A (0.51) | — | |
| SCHEMBL827936 | 0.74 | SMN1; SMN2 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1829876-A1 | NITROGENEOUS TRICYCLIC COMPOUND | Asahi Kasei Pharma Corporation (JP) | 2007-09-05 | — | — | EP | disclosed |
| US-20060247266-A1 | Nitrogen-containing tricyclic compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2006-11-02 | — | — | US | disclosed |