⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78201 | 0.71 | — | — | |
| SCHEMBL2518191 | 0.71 | — | — | |
| SCHEMBL14631330 | 0.71 | — | — | |
| SCHEMBL24615863 | 0.71 | MAOA (0.34) | — | |
| SCHEMBL15649564 | 0.71 | MAOA (0.34) | — | |
| SCHEMBL12199430 | 0.71 | MAOA (0.34) | — | |
| SCHEMBL4396923 | 0.69 | — | — | |
| SCHEMBL16611279 | 0.68 | — | — | |
| SCHEMBL1906501 | 0.67 | — | — | |
| SCHEMBL9975342 | 0.67 | — | — |
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-4031532-A1 | SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Bial-R&D Investments, S.A. (PT) | 2022-07-27 | — | — | EP | disclosed |