⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6954301 | 0.72 | — | — | |
| SCHEMBL15614321 | 0.57 | ADRA2A (0.43) | — | |
| SCHEMBL12280720 | 0.54 | THRB (0.45) | — | |
| SCHEMBL57510 | 0.54 | THRB (0.45) | — | |
| SCHEMBL2737141 | 0.54 | THRB (0.45) | — | |
| SCHEMBL23296776 | 0.54 | IDO1 (0.39) | — | |
| SCHEMBL23257138 | 0.54 | HPGD (0.33) | — | |
| SCHEMBL15614357 | 0.54 | GABRA1 (0.34) | — | |
| SCHEMBL17789891 | 0.54 | THRB (0.41) | — | |
| Hydrogen Sulfide SCHEMBL27817796 | 0.53 | THRB (0.44) | — |
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-5965740-A | POTENT FUNGICIDAL AND INSECTICIDAL ACTIVITY; LOW TOXICITY | SHIONOGI & CO., LTD. (JP) | 1999-10-12 | — | — | US | disclosed |