⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24623046 | 0.84 | — | — | |
| SCHEMBL2606074 | 0.79 | — | — | |
| SCHEMBL19724032 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL25568295 | 0.73 | — | — | |
| SCHEMBL25568298 | 0.73 | — | — | |
| SCHEMBL5586346 | 0.73 | — | — | |
| SCHEMBL24644482 | 0.69 | — | — | |
| SCHEMBL658128 | 0.68 | ESR1 (0.38) | — | |
| SCHEMBL635664 | 0.68 | ESR1 (0.38) | — | |
| SCHEMBL4096134 | 0.68 | ESR1 (0.38) | — |
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-3077387-B1 | BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER | JANSSEN PHARMACEUTICA NV (BE) | 2017-12-20 | — | — | EP | disclosed |