⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4683704 | 0.81 | GAA (0.33) | — | |
| SCHEMBL14485997 | 0.81 | — | — | |
| SCHEMBL4683650 | 0.80 | — | — | |
| SCHEMBL8791448 | 0.80 | PKM (0.38) | — | |
| SCHEMBL14485977 | 0.78 | BACE1 (0.32) | — | |
| SCHEMBL14066501 | 0.74 | PKM (0.35) | — | |
| SCHEMBL4680664 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL4680553 | 0.71 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL30605 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL4685238 | 0.69 | SMN1; SMN2 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7230023-B2 | Water-soluble triazole fungicide | SANKYO COMPANY, LIMITED (JP) | 2007-06-12 | — | — | US | disclosed |
| US-7230023-B2 | Water-soluble triazole fungicide | SANKYO COMPANY, LIMITED (JP) | 2007-06-12 | — | — | US | disclosed |