⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17456262 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL8310396 | 0.77 | ATIC (0.33) | — | |
| SCHEMBL17456316 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL6689755 | 0.67 | — | — | |
| SCHEMBL22614908 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL5752172 | 0.64 | — | — | |
| SCHEMBL2873901 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL9076339 | 0.62 | TSHR (0.34) | — | |
| SCHEMBL8343162 | 0.62 | ATIC (0.33) | — | |
| SCHEMBL9881663 | 0.62 | ATIC (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004083213-A1 | 4,6-DIHYDROFURO[3,4-D]IMIDAZOLE-6-ONE DERIVATIVES AND THEIR SALTS AND PROCESS FOR THE PREPARATION OF THE SAME | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2004-09-30 | — | — | WO | disclosed |