⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10840311 | 0.64 | CES1 (0.34) | — | |
| SCHEMBL8260739 | 0.57 | HIF1A (0.30) | — | |
| SCHEMBL8025287 | 0.57 | NPSR1 (0.35) | — | |
| SCHEMBL29368277 | 0.56 | CYP3A4 (0.62) | — | |
| SCHEMBL348089 | 0.56 | CYP3A4 (0.62) | — | |
| SCHEMBL18595003 | 0.56 | LMNA (0.38) | — | |
| Methane SCHEMBL23466796 | 0.53 | CYP3A4 (0.59) | — | |
| SCHEMBL29674897 | 0.52 | CYP3A4 (0.42) | — | |
| SCHEMBL13041994 | 0.52 | GAA (0.38) | — | |
| SCHEMBL1493725 | 0.52 | CYP3A4 (0.42) | — |
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-0712850-B1 | Herbicidal novel 1-cyclopropyl tetrazolinones | BAYER AGROCHEM KK (JP) | 2000-04-05 | — | — | EP | claimed |