⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1995903 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1992468 | 0.99 | — | — | |
| SCHEMBL6921069 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL1991087 | 0.87 | — | — | |
| SCHEMBL1995039 | 0.82 | — | — | |
| SCHEMBL29536891 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1997136 | 0.81 | — | — | |
| SCHEMBL1992357 | 0.81 | — | — | |
| SCHEMBL1992358 | 0.81 | — | — | |
| SCHEMBL1992342 | 0.81 | MEN1 (0.56) | — |
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-3187490-B1 | SUBSTITUTED BENZAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2022-04-06 | — | — | EP | claimed |