⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20762018 | 0.83 | — | — | |
| SCHEMBL20761815 | 0.81 | ALDH1A1 (0.48) | — | |
| SCHEMBL11938156 | 0.75 | CA12 (0.44) | — | |
| SCHEMBL3436797 | 0.73 | — | — | |
| SCHEMBL13083841 | 0.69 | — | — | |
| Dimethyl Sulfoxide SCHEMBL28124702 | 0.67 | CA12 (0.50) | — | |
| SCHEMBL20341837 | 0.67 | CA12 (0.36) | — | |
| SCHEMBL2527277 | 0.65 | — | — | |
| SCHEMBL118515 | 0.61 | — | — | |
| SCHEMBL18602949 | 0.61 | — | — |
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-2842939-B1 | BENZAMIDE DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2018-05-30 | — | — | EP | disclosed |