⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3269743 | 0.85 | — | — | |
| SCHEMBL8788815 | 0.67 | NOS3 (0.33) | — | |
| SCHEMBL6393839 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL16992087 | 0.61 | L3MBTL1 (0.38) | — | |
| SCHEMBL5254253 | 0.61 | PLG (0.32) | — | |
| SCHEMBL26118006 | 0.61 | CA1 (0.40) | — | |
| SCHEMBL141782 | 0.60 | HIF1A (0.42) | — | |
| SCHEMBL30790567 | 0.60 | — | — | |
| SCHEMBL21059025 | 0.60 | MAP3K14 (0.33) | — | |
| SCHEMBL30790418 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0688315-A1 | NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-12-27 | — | — | EP | disclosed |
| WO-1994021607-A1 | NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-09-29 | — | — | WO | disclosed |