⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6497191 | 0.82 | — | — | |
| SCHEMBL6348273 | 0.72 | EPHX2 (0.44) | — | |
| SCHEMBL6451090 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL6494992 | 0.69 | — | — | |
| SCHEMBL6504730 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL6496442 | 0.67 | — | — | |
| SCHEMBL6505047 | 0.66 | — | — | |
| SCHEMBL12963923 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL6496506 | 0.62 | HSD11B1 (0.34) | — | |
| SCHEMBL13416097 | 0.59 | CYP17A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6949615-B2 | Monomer having electron-withdrawing group and process for preparing the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2005-09-27 | — | — | US | disclosed |