⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1126985 | 0.85 | ALDH1A1 (0.36) | — | |
| SCHEMBL8390476 | 0.79 | — | — | |
| Boric Acid SCHEMBL29245180 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL720828 | 0.78 | — | — | |
| SCHEMBL113676 | 0.77 | — | — | |
| SCHEMBL21558363 | 0.77 | — | — | |
| SCHEMBL4679714 | 0.76 | — | — | |
| SCHEMBL9408854 | 0.76 | — | — | |
| SCHEMBL4445601 | 0.76 | — | — | |
| Water SCHEMBL29557365 | 0.74 | — | — |
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-4248886-A | Combating fungi with N-oxalyl-N-phenyl-aminoacids and esters thereof | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-03 | — | — | US | disclosed |