⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20416207 | 0.86 | — | — | |
| SCHEMBL7219873 | 0.86 | — | — | |
| SCHEMBL12551024 | 0.84 | CYP11B2 (0.33) | — | |
| SCHEMBL9143364 | 0.78 | — | — | |
| SCHEMBL12550459 | 0.76 | — | — | |
| SCHEMBL26625992 | 0.75 | — | — | |
| SCHEMBL13455883 | 0.74 | — | — | |
| SCHEMBL25676513 | 0.73 | RECQL (0.32) | — | |
| SCHEMBL20825403 | 0.70 | — | — | |
| SCHEMBL23253974 | 0.70 | ESR2 (0.36) | — |
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 |