⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31727993 | 1.00 | — | — | |
| SCHEMBL31729294 | 0.87 | EPHA2 (0.31) | — | |
| SCHEMBL31728432 | 0.85 | ERBB2 (0.30) | — | |
| SCHEMBL31728366 | 0.85 | ERBB2 (0.30) | — | |
| SCHEMBL31727792 | 0.78 | PDCD1LG2 (0.36) | — | |
| SCHEMBL31729231 | 0.73 | EPHA2 (0.31) | — | |
| SCHEMBL31728618 | 0.71 | CLK1 (0.36) | — | |
| SCHEMBL31728973 | 0.68 | ERBB2 (0.34) | — | |
| SCHEMBL31728213 | 0.68 | EIF2AK3 (0.38) | — | |
| SCHEMBL31729163 | 0.66 | CLK1 (0.37) | — |
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 |