⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31194779 | 0.74 | — | — | |
| SCHEMBL20550806 | 0.71 | APLNR (0.30) | — | |
| SCHEMBL14167698 | 0.71 | — | — | |
| SCHEMBL18132253 | 0.67 | — | — | |
| SCHEMBL14357978 | 0.67 | — | — | |
| SCHEMBL14358060 | 0.67 | — | — | |
| SCHEMBL17028475 | 0.64 | — | — | |
| SCHEMBL1318886 | 0.63 | — | — | |
| SCHEMBL9720955 | 0.60 | — | — | |
| SCHEMBL980075 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5824689-A | 3,8-DIHYROXYQUINOLINE AND DERIVATIVES, ANTICANCER AGENT, PREPARATION FROM 8-ALKOXYQUINOLINE-3-CARBOXAMIDE, HOFFMAN REARRANGEMENT, DIAZOTIZATION | SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) | 1998-10-20 | — | — | US | disclosed |