⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17827121 | 0.76 | PIK3CB (0.34) | — | |
| SCHEMBL27819084 | 0.75 | — | — | |
| SCHEMBL12032318 | 0.73 | PIK3C3 (0.32) | — | |
| SCHEMBL18855869 | 0.69 | NPC1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1536094 | 0.66 | L3MBTL1 (0.50) | — | |
| SCHEMBL2318732 | 0.64 | DGAT1 (0.38) | — | |
| SCHEMBL4677179 | 0.63 | PDE10A (0.69) | — | |
| SCHEMBL2316870 | 0.58 | MAPK1 (0.55) | — | |
| SCHEMBL780199 | 0.57 | PABPC1 (0.44) | — | |
| SCHEMBL30192121 | 0.57 | PABPC1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2506716-B1 | NOVEL TRICYCLIC COMPOUNDS | ABBVIE INC (US) | 2017-05-17 | — | — | EP | disclosed |