⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11127619 | 0.82 | ACHE (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL31519066 | 0.79 | ACHE (0.33) | — | |
| SCHEMBL29153153 | 0.79 | ACHE (0.33) | — | |
| SCHEMBL31482921 | 0.73 | — | — | |
| SCHEMBL9173957 | 0.71 | — | — | |
| SCHEMBL11360361 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL6033149 | 0.65 | — | — | |
| Nitrous Acid SCHEMBL28465948 | 0.65 | — | — | |
| SCHEMBL15259349 | 0.62 | — | — | |
| Water SCHEMBL2877012 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1197461-C | Fungicidal mixtures | BASF AG (DE) | 2005-04-20 | — | — | CN | disclosed |
| EP-0984694-B1 | FUNGICIDAL MIXTURES | BASF AG (DE) | 2002-12-11 | — | — | EP | disclosed |
| CN-1258193-A | Fungicidal mixtures | BASF AG (DE) | 2000-06-28 | — | — | CN | disclosed |
| EP-0984694-A1 | FUNGICIDAL MIXTURES | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-15 | — | — | EP | disclosed |
| WO-1998053689-A1 | FUNGICIDAL MIXTURES | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-03 | — | — | WO | disclosed |