⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27670323 | 0.82 | — | — | |
| SCHEMBL14261205 | 0.80 | — | — | |
| SCHEMBL8720555 | 0.78 | — | — | |
| SCHEMBL2631524 | 0.77 | CYP1A2 (0.44) | — | |
| SCHEMBL23000250 | 0.75 | HCAR2 (0.45) | — | |
| SCHEMBL30206342 | 0.75 | KCNH2 (0.38) | — | |
| SCHEMBL11740746 | 0.73 | — | — | |
| SCHEMBL3465530 | 0.73 | — | — | |
| SCHEMBL12115315 | 0.73 | — | — | |
| SCHEMBL855024 | 0.72 | HCAR2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007071956-A1 | NOVEL BENZAMIDE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-06-28 | — | — | WO | disclosed |