⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5767641 | 0.90 | — | — | |
| SCHEMBL5113000 | 0.90 | — | — | |
| SCHEMBL5105480 | 0.79 | — | — | |
| SCHEMBL5113094 | 0.78 | CNR1 (0.31) | — | |
| SCHEMBL5111450 | 0.77 | — | — | |
| SCHEMBL4943359 | 0.75 | CNR1 (0.34) | — | |
| SCHEMBL3273514 | 0.74 | CNR1 (0.34) | — | |
| SCHEMBL3281407 | 0.71 | CNR1 (0.33) | — | |
| SCHEMBL5489084 | 0.71 | IDO1 (0.34) | — | |
| SCHEMBL3271971 | 0.70 | RXRA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7329667-B2 | A hexahydro-1,5,6,8-tetraaza-acenaphthylene or -1,3,4-triazaphenalene derivatives; treatment of depression and anxiety; inflammatory bowel disease; treatment of conditions mediated by corticotropin-releasing factor | GLAXO GROUP LIMITED (GB) | 2008-02-12 | — | — | US | disclosed |
| EP-1383498-B1 | CRF RECEPTOR ANTAGONISTS | GLAXO GROUP LTD (GB) | 2006-03-15 | — | — | EP | disclosed |
| US-20040235871-A1 | Crf receptor antagonists | GLAXO GROUP LIMITED (GB) | 2004-11-25 | — | — | US | disclosed |