⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8732234 | 0.89 | NPC1 (0.30) | — | |
| SCHEMBL8729939 | 0.88 | — | — | |
| SCHEMBL8729947 | 0.88 | — | — | |
| SCHEMBL8735587 | 0.87 | — | — | |
| SCHEMBL8734800 | 0.87 | MAPT (0.30) | — | |
| SCHEMBL8735727 | 0.86 | — | — | |
| SCHEMBL8732267 | 0.86 | — | — | |
| SCHEMBL8732684 | 0.85 | STK10 (0.30) | — | |
| SCHEMBL8732876 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL8734910 | 0.83 | — | — |
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 |