⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19720564 | 0.88 | SLC6A11 (0.32) | — | |
| SCHEMBL16901710 | 0.81 | GABRR1 (0.33) | — | |
| SCHEMBL22198734 | 0.81 | — | — | |
| SCHEMBL20711676 | 0.79 | — | — | |
| SCHEMBL19720782 | 0.78 | — | — | |
| SCHEMBL19720663 | 0.78 | — | — | |
| SCHEMBL19720551 | 0.73 | CYP1A2 (0.34) | — | |
| SCHEMBL4332116 | 0.73 | ATM (0.31) | — | |
| SCHEMBL19720783 | 0.72 | — | — | |
| SCHEMBL19720562 | 0.72 | ALDH1A1 (0.32) | — |
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-3257848-A1 | COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY | Novartis AG (CH) | 2017-12-20 | — | — | EP | disclosed |