⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31728340 | 0.90 | SRC (0.33) | — | |
| SCHEMBL31728401 | 0.83 | SRC (0.39) | — | |
| SCHEMBL31728341 | 0.81 | SRC (0.34) | — | |
| SCHEMBL31728415 | 0.79 | — | — | |
| SCHEMBL31727804 | 0.79 | SRC (0.37) | — | |
| SCHEMBL31728101 | 0.78 | SRC (0.34) | — | |
| SCHEMBL31727797 | 0.75 | PIK3CD (0.33) | — | |
| SCHEMBL31728046 | 0.75 | SRC (0.37) | — | |
| SCHEMBL31728811 | 0.73 | SRC (0.36) | — | |
| SCHEMBL31727763 | 0.73 | SRC (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025235874-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |