⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16828359 | 0.72 | CA1 (0.38) | — | |
| SCHEMBL736047 | 0.71 | — | — | |
| SCHEMBL736046 | 0.71 | — | — | |
| SCHEMBL5077928 | 0.70 | — | — | |
| SCHEMBL30105662 | 0.66 | — | — | |
| SCHEMBL11069046 | 0.66 | — | — | |
| SCHEMBL11069087 | 0.66 | — | — | |
| SCHEMBL24573117 | 0.65 | HSD17B10 (0.32) | — | |
| SCHEMBL1136183 | 0.65 | — | — | |
| SCHEMBL8418881 | 0.64 | — | — |
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-5201934-A | Carboxamides and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-13 | — | — | US | disclosed |