⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31729146 | 0.83 | PIK3CD (0.36) | — | |
| SCHEMBL31728916 | 0.81 | PDE5A (0.33) | — | |
| SCHEMBL31727748 | 0.75 | ABL1 (0.31) | — | |
| SCHEMBL31728351 | 0.72 | SRC (0.35) | — | |
| SCHEMBL31727943 | 0.72 | PIK3CD (0.35) | — | |
| SCHEMBL31728767 | 0.71 | PIK3CD (0.41) | — | |
| SCHEMBL31727918 | 0.69 | — | — | |
| SCHEMBL31727802 | 0.65 | SRC (0.34) | — | |
| SCHEMBL31728476 | 0.63 | PDE5A (0.35) | — | |
| SCHEMBL31729145 | 0.61 | PDE5A (0.44) | — |
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 |