⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9069741 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL8735095 | 0.86 | — | — | |
| SCHEMBL8732674 | 0.86 | — | — | |
| SCHEMBL8732284 | 0.85 | KDM4E (0.30) | — | |
| SCHEMBL9070010 | 0.85 | KAT6A (0.31) | — | |
| SCHEMBL8729884 | 0.84 | — | — | |
| SCHEMBL8734946 | 0.83 | — | — | |
| SCHEMBL8732676 | 0.82 | CA12 (0.31) | — | |
| SCHEMBL8735760 | 0.81 | — | — | |
| SCHEMBL8735587 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0699390-B1 | Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use | ROHM & HAAS (US) | 1998-10-07 | — | — | EP | claimed |