⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1989485 | 0.78 | — | — | |
| SCHEMBL6919767 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1991970 | 0.77 | — | — | |
| SCHEMBL31412623 | 0.67 | SLC6A3 (0.44) | — | |
| SCHEMBL31412653 | 0.67 | SLC6A3 (0.44) | — | |
| SCHEMBL6920725 | 0.64 | — | — | |
| SCHEMBL2022504 | 0.64 | — | — | |
| SCHEMBL23065932 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL1988968 | 0.64 | — | — | |
| SCHEMBL20999969 | 0.61 | ALDH1A1 (0.39) | — |
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-A1 | SUBSTITUTED BENZAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2017-07-05 | — | — | EP | disclosed |