⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL910910 | 0.85 | — | — | |
| SCHEMBL7561412 | 0.69 | — | — | |
| SCHEMBL2349094 | 0.69 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL10582578 | 0.67 | — | — | |
| SCHEMBL10580740 | 0.67 | — | — | |
| SCHEMBL23420992 | 0.66 | — | — | |
| SCHEMBL598322 | 0.66 | — | — | |
| SCHEMBL599341 | 0.66 | — | — | |
| SCHEMBL428437 | 0.66 | — | — | |
| SCHEMBL11810630 | 0.66 | EPHX2 (0.32) | — |
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-4835171-A | Vinylureas, and fungicides containing these compounds | BASF ALTIENGESELLSCHAFT (DE) | 1989-05-30 | — | — | US | disclosed |