⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25591249 | 0.81 | PDPK1 (0.31) | — | |
| SCHEMBL22789204 | 0.78 | DAO (0.37) | — | |
| SCHEMBL13902265 | 0.76 | MPL (0.33) | — | |
| SCHEMBL21479580 | 0.76 | HPGD (0.34) | — | |
| SCHEMBL9880659 | 0.74 | DAO (0.32) | — | |
| SCHEMBL18549586 | 0.74 | HSD17B10 (0.33) | — | |
| SCHEMBL13259533 | 0.74 | MAT2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL22774899 | 0.73 | PTPN5 (0.33) | — | |
| SCHEMBL21479596 | 0.71 | — | — | |
| SCHEMBL15849397 | 0.71 | PDE4B (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106905260-B | It is used to prepare herbicide flufenacet Intermediate TDA-sulfone method | 西华大学 | 2019-01-11 | — | — | CN | claimed |