⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL607609 | 1.00 | — | — | |
| SCHEMBL23922927 | 0.69 | DPP4 (0.30) | — | |
| SCHEMBL23922929 | 0.69 | DPP4 (0.30) | — | |
| SCHEMBL20400645 | 0.66 | — | — | |
| SCHEMBL5938348 | 0.61 | — | — | |
| SCHEMBL650273 | 0.59 | — | — | |
| SCHEMBL2080753 | 0.59 | — | — | |
| SCHEMBL4825235 | 0.59 | — | — | |
| SCHEMBL22108626 | 0.59 | EPHX2 (0.33) | — | |
| SCHEMBL30007451 | 0.58 | — | — |
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-20120040991-A1 | 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2012-02-16 | — | — | US | disclosed |