⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL304574 | 0.80 | — | — | |
| SCHEMBL21811768 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL3137072 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL506645 | 0.78 | — | — | |
| SCHEMBL16377934 | 0.78 | — | — | |
| SCHEMBL30002595 | 0.76 | TSHR (0.48) | — | |
| SCHEMBL16559351 | 0.76 | CA12 (0.32) | — | |
| SCHEMBL8788251 | 0.76 | — | — | |
| SCHEMBL8788253 | 0.76 | — | — | |
| SCHEMBL24246399 | 0.74 | ALDH1A1 (0.30) | — |
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-2016109634-A1 | FUNGICIDAL COMPOSITIONS | DOW AGROSCIENCES LLC (US) | 2016-07-07 | — | — | WO | disclosed |