⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6508796 | 0.77 | ATP1A1 (0.37) | — | |
| SCHEMBL5599526 | 0.73 | KDM1A (0.36) | — | |
| SCHEMBL3138855 | 0.71 | ESR2 (0.53) | — | |
| SCHEMBL5599953 | 0.66 | GABRP (0.48) | — | |
| SCHEMBL6139569 | 0.66 | L3MBTL1 (0.39) | — | |
| SCHEMBL5599819 | 0.64 | PRKCI (0.45) | — | |
| SCHEMBL6810753 | 0.63 | STS (0.32) | — | |
| SCHEMBL16749147 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL5790382 | 0.59 | MAPT (0.41) | — | |
| SCHEMBL5906534 | 0.59 | IDO1 (0.46) | — |
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-1192122-B1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI SYNTHELABO (FR) | 2003-10-22 | — | — | EP | disclosed |