⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4579761 | 0.77 | — | — | |
| SCHEMBL4197669 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL491447 | 0.71 | — | — | |
| SCHEMBL15067862 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL20558709 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL17435145 | 0.69 | KDM4E (0.38) | — | |
| SCHEMBL8465946 | 0.68 | KDM4E (0.30) | — | |
| SCHEMBL4386138 | 0.67 | — | — | |
| SCHEMBL900930 | 0.67 | KCNK2 (0.31) | — | |
| SCHEMBL2348023 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2621922-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041858-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |