⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL95571 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6609957 | 0.97 | — | — | |
| SCHEMBL8279455 | 0.92 | — | — | |
| SCHEMBL4754736 | 0.92 | — | — | |
| SCHEMBL13745011 | 0.90 | DRD2 (0.37) | — | |
| SCHEMBL3372270 | 0.89 | ADH1A (0.50) | — | |
| Hydrochloric Acid SCHEMBL5379324 | 0.89 | ADH1A (0.45) | — | |
| SCHEMBL10102970 | 0.88 | DRD2 (0.36) | — | |
| SCHEMBL3273602 | 0.88 | DRD2 (0.36) | — | |
| SCHEMBL17046171 | 0.87 | ADH1A (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008126684-A2 | AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-10-23 | — | — | WO | disclosed |