⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7477600 | 0.73 | HTR2A (0.31) | — | |
| SCHEMBL219312 | 0.71 | — | — | |
| SCHEMBL7473611 | 0.71 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL2286167 | 0.69 | P2RX7 (0.32) | — | |
| SCHEMBL900672 | 0.68 | KDM4E (0.30) | — | |
| SCHEMBL2282068 | 0.66 | — | — | |
| SCHEMBL16707522 | 0.65 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL441450 | 0.65 | — | — | |
| SCHEMBL900412 | 0.64 | — | — | |
| SCHEMBL3555757 | 0.63 | HTR2A (0.40) | — |
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 |