⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13320609 | 0.78 | — | — | |
| SCHEMBL2041524 | 0.78 | — | — | |
| SCHEMBL12092488 | 0.75 | GABRA1 (0.31) | — | |
| SCHEMBL11890308 | 0.75 | HRH4 (0.31) | — | |
| SCHEMBL23026126 | 0.75 | CBLB (0.34) | — | |
| SCHEMBL15727502 | 0.73 | — | — | |
| SCHEMBL13100186 | 0.72 | PDE1A (0.31) | — | |
| SCHEMBL16215872 | 0.72 | GRIN1 (0.33) | — | |
| SCHEMBL23002410 | 0.70 | CA1 (0.32) | — | |
| SCHEMBL24915355 | 0.69 | KDM4E (0.33) | — |
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 2 patents. 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 |
| US-6156761-A | Substituted tetralone derivatives for enhancing cognition | MERCK SHARPE & DOHME LIMITED (GB) | 2000-12-05 | — | — | US | disclosed |