⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17581053 | 0.78 | — | — | |
| SCHEMBL2432093 | 0.71 | — | — | |
| SCHEMBL4233335 | 0.69 | — | — | |
| SCHEMBL6651426 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL27661464 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL27498052 | 0.67 | — | — | |
| SCHEMBL6651428 | 0.67 | — | — | |
| L-Lactic Acid SCHEMBL16958 | 0.60 | — | — | |
| L-Lactic Acid SCHEMBL13165963 | 0.60 | — | — | |
| Lactic Acid SCHEMBL9066424 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5248694-A | Fungicides | RIKAGAKU KENKYUSHO (JP) | 1993-09-28 | — | — | US | claimed |
| JP-5213703-A | — | — | None | — | — | JP | disclosed |
| US-5248694-A | Fungicides | RIKAGAKU KENKYUSHO (JP) | 1993-09-28 | — | — | US | disclosed |
| US-5248694-A | Fungicides | RIKAGAKU KENKYUSHO (JP) | 1993-09-28 | — | — | US | disclosed |
| JP-H05213703-A | PLANT BLIGHT CONTROLLING AGENT | RIKAGAKU KENKYUSHO | 1993-08-24 | — | — | JP | disclosed |