⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18480124 | 0.97 | — | — | |
| SCHEMBL5754557 | 0.78 | NPC1 (0.52) | — | |
| SCHEMBL379624 | 0.77 | — | — | |
| SCHEMBL6383859 | 0.75 | NPC1 (0.61) | — | |
| SCHEMBL196700 | 0.75 | NPC1 (0.48) | — | |
| SCHEMBL6377426 | 0.75 | NPC1 (0.61) | — | |
| SCHEMBL10357183 | 0.75 | NPC1 (0.61) | — | |
| SCHEMBL9517342 | 0.75 | NPC1 (0.48) | — | |
| SCHEMBL6376493 | 0.75 | NPC1 (0.61) | — | |
| SCHEMBL6379525 | 0.75 | NPC1 (0.61) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017024408-A1 | ARYL-SUBSTITUTED DIHYDROQUINOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS | NEOMED INSTITUTE (CA) | 2017-02-16 | — | — | WO | disclosed |
| EP-1438324-A4 | COHALOGENATIONS OF SELECTED DOUBLE BONDED COMPOUNDS USING N-HALO-SUCCINIMIDE. | UNIV WAIKATO (NZ) | 2005-06-22 | — | — | EP | disclosed |
| EP-1438324-A1 | COHALOGENATIONS OF SELECTED DOUBLE BONDED COMPOUNDS USING N-HALO-SUCCINIMIDE. | The University of Waikato (NZ) | 2004-07-21 | — | — | EP | disclosed |
| WO-2003027133-A1 | COHALOGENATIONS OF SELECTED DOUBLE BONDED COMPOUNDS USING N-HALO-SUCCINIMIDE. | THE UNIVERSITY OF WAIKATO (NZ) | 2003-04-03 | — | — | WO | disclosed |