⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL900202 | 0.77 | HTR2A (0.31) | — | |
| SCHEMBL900914 | 0.77 | — | — | |
| SCHEMBL900866 | 0.73 | PTGS2 (0.31) | — | |
| SCHEMBL16976330 | 0.69 | PDK1 (0.37) | — | |
| SCHEMBL2346201 | 0.67 | — | — | |
| SCHEMBL13875594 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL2344830 | 0.66 | — | — | |
| SCHEMBL15063775 | 0.66 | — | — | |
| SCHEMBL4386138 | 0.66 | — | — | |
| SCHEMBL12828097 | 0.65 | CYP3A4 (0.36) | — |
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 |