⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18806994 | 0.70 | — | — | |
| SCHEMBL6885257 | 0.70 | — | — | |
| SCHEMBL12181317 | 0.65 | — | — | |
| SCHEMBL12181241 | 0.65 | — | — | |
| SCHEMBL23183267 | 0.62 | — | — | |
| Water SCHEMBL4071847 | 0.62 | — | — | |
| SCHEMBL14307286 | 0.61 | — | — | |
| SCHEMBL22906223 | 0.60 | L3MBTL1 (0.38) | — | |
| SCHEMBL23183312 | 0.60 | SORT1 (0.38) | — | |
| SCHEMBL24002092 | 0.58 | KDM4E (0.31) | — |
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-2576571-B1 | FUNGICIDE N-[(TRISUBSTITUTEDSILYL)METHYL]-CARBOXAMIDE DERIVATIVES | BAYER IP GMBH (DE) | 2017-01-25 | — | — | EP | disclosed |