⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27963354 | 0.93 | GAA (0.35) | — | |
| SCHEMBL9130349 | 0.73 | — | — | |
| SCHEMBL9054110 | 0.72 | — | — | |
| SCHEMBL11811775 | 0.70 | — | — | |
| SCHEMBL24935121 | 0.70 | — | — | |
| SCHEMBL13970843 | 0.70 | — | — | |
| SCHEMBL16245337 | 0.70 | — | — | |
| SCHEMBL13970842 | 0.70 | — | — | |
| SCHEMBL22986784 | 0.70 | DPP4 (0.30) | — | |
| SCHEMBL13950639 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6624309-B1 | Administering 4-heterocyclicbenzamide derivative | BRISTOL-MYERS SQUIBB COMPANY | 2003-09-23 | — | — | US | disclosed |
| US-20020137968-A1 | Benzoic acid derivatives and related compounds as antiarrhythmic agents | LLOYD JOHN (US) | 2002-09-26 | — | — | US | disclosed |