⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11065752 | 0.61 | — | — | |
| SCHEMBL8841961 | 0.58 | — | — | |
| SCHEMBL8841964 | 0.57 | — | — | |
| SCHEMBL3543842 | 0.54 | — | — | |
| SCHEMBL2837556 | 0.50 | — | — | |
| SCHEMBL3060 | 0.49 | — | — | |
| SCHEMBL15671661 | 0.49 | — | — | |
| SCHEMBL37672 | 0.49 | — | — | |
| SCHEMBL2554291 | 0.49 | — | — | |
| SCHEMBL1434293 | 0.48 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5597776-A | ANTAGONIST FOR HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-28 | — | — | US | disclosed |
| EP-0537463-A2 | Substituted pyrido(2,3-d)pyrimidines as antidotes | BASF Aktiengesellschaft (DE) | 1993-04-21 | — | — | EP | disclosed |