⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8311196 | 0.86 | CYP11B1 (0.31) | — | |
| SCHEMBL8310664 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL9241917 | 0.78 | — | — | |
| SCHEMBL6180678 | 0.78 | — | — | |
| SCHEMBL8307301 | 0.76 | CYP11B1 (0.31) | — | |
| SCHEMBL8310730 | 0.76 | — | — | |
| SCHEMBL8310642 | 0.75 | HSD17B10 (0.33) | — | |
| SCHEMBL8525067 | 0.74 | HCRTR1 (0.31) | — | |
| SCHEMBL9116742 | 0.71 | AOC3 (0.33) | — | |
| SCHEMBL8307928 | 0.71 | — | — |
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-0918056-A1 | Herbicides | RHONE-POULENC AGRICULTURE LTD. (GB) | 1999-05-26 | — | — | EP | disclosed |