⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7098704 | 0.72 | — | — | |
| SCHEMBL7254264 | 0.69 | ADRA2A (0.56) | — | |
| SCHEMBL7101747 | 0.67 | — | — | |
| SCHEMBL16323587 | 0.62 | HTT (0.34) | — | |
| SCHEMBL7172007 | 0.61 | KDM4E (0.32) | — | |
| SCHEMBL7688500 | 0.60 | TSHR (0.38) | — | |
| SCHEMBL2184244 | 0.60 | TSHR (0.54) | — | |
| SCHEMBL2383891 | 0.59 | HTT (0.44) | — | |
| SCHEMBL7097291 | 0.59 | MAPT (0.35) | — | |
| SCHEMBL7510881 | 0.59 | FGFR1 (0.35) | — |
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-20030073850-A1 | 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use | ABBOTT LABORATORIES | 2003-04-17 | — | — | US | disclosed |