⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8522840 | 0.72 | — | — | |
| SCHEMBL8490533 | 0.69 | FUCA1 (0.34) | — | |
| SCHEMBL13542854 | 0.66 | — | — | |
| SCHEMBL7420746 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL10966243 | 0.59 | — | — | |
| SCHEMBL3676067 | 0.57 | — | — | |
| SCHEMBL12207054 | 0.57 | — | — | |
| SCHEMBL9811085 | 0.57 | — | — | |
| SCHEMBL17313073 | 0.56 | — | — | |
| SCHEMBL8490370 | 0.56 | FUCA1 (0.33) | — |
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-0413224-A1 | Fungicidal agent containing 1,2-naphthoquinones | BASF Aktiengesellschaft (DE) | 1991-02-20 | — | — | EP | disclosed |