⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14048530 | 1.00 | — | — | |
| SCHEMBL10656914 | 1.00 | — | — | |
| SCHEMBL257643 | 0.74 | — | — | |
| SCHEMBL18371880 | 0.72 | — | — | |
| SCHEMBL10057490 | 0.72 | — | — | |
| SCHEMBL23976974 | 0.71 | — | — | |
| SCHEMBL8288595 | 0.67 | — | — | |
| SCHEMBL12116825 | 0.67 | — | — | |
| SCHEMBL16774924 | 0.65 | — | — | |
| SCHEMBL12909235 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2691372-B1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | CENTRE NAT RECH SCIENT (FR) | 2019-10-16 | — | — | EP | disclosed |