⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24270894 | 0.82 | — | — | |
| SCHEMBL23245216 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL343622 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL426304 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL142649 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL425274 | 0.67 | — | — | |
| SCHEMBL13025328 | 0.67 | — | — | |
| SCHEMBL10151919 | 0.64 | PNMT (0.32) | — | |
| SCHEMBL11028691 | 0.64 | PNMT (0.32) | — | |
| SCHEMBL11797235 | 0.64 | — | — |
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-2017133669-A1 | 5, 7-DIAZAINDOLE AND 5, 7-DIAZAINDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |