⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3887829 | 0.81 | ADRB2 (0.30) | — | |
| SCHEMBL3883916 | 0.77 | CACNA1H (0.32) | — | |
| SCHEMBL3884368 | 0.75 | MAPK1 (0.33) | — | |
| SCHEMBL3890080 | 0.74 | DGAT1 (0.32) | — | |
| SCHEMBL4484490 | 0.73 | NPC1 (0.32) | — | |
| SCHEMBL3883586 | 0.72 | ADRA1A (0.32) | — | |
| SCHEMBL3883932 | 0.68 | MAPK1 (0.36) | — | |
| SCHEMBL4692914 | 0.67 | ADRB2 (0.30) | — | |
| SCHEMBL4485891 | 0.67 | MAPK1 (0.35) | — | |
| SCHEMBL5940770 | 0.67 | LMNA (0.37) | — |
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-20050209296-A1 | 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof | PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) | 2005-09-22 | — | — | US | claimed |