⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7993944 | 0.74 | — | — | |
| SCHEMBL3825167 | 0.74 | FTO (0.42) | — | |
| SCHEMBL14297422 | 0.72 | — | — | |
| SCHEMBL3165824 | 0.72 | — | — | |
| SCHEMBL4429463 | 0.72 | — | — | |
| SCHEMBL23925047 | 0.72 | — | — | |
| SCHEMBL3823825 | 0.72 | — | — | |
| SCHEMBL459802 | 0.72 | — | — | |
| SCHEMBL18551126 | 0.72 | — | — | |
| SCHEMBL504264 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023240134-A1 | SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES | NodThera Limited (GB) | 2023-12-14 | — | — | WO | disclosed |
| US-4057634-A | Antiprotozoal(1-alkyl-5-nitro-imidazolyl-2-alkyl)-pyridazines | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-11-08 | — | — | US | disclosed |
| US-3994886-A | ANTIBACTERIAL | RECHERCHE ET INDUSTRIE THERAPEUTIQUES (R.I.T.) (BE) | 1976-11-30 | — | — | US | disclosed |
| US-3994887-A | ANTIBACTERIAL | RECHERCHE ET INDUSTRIE THERAPEUTIQUES (R.I.T.) (BE) | 1976-11-30 | — | — | US | disclosed |
| US-3991191-A | Antiprotozoal (1-alkyl-5-nitro-imidazolyl-2-alkyl)-pyrimidines | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-11-09 | — | — | US | disclosed |