⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL739355 | 0.85 | — | — | |
| SCHEMBL741117 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL4004601 | 0.55 | HDAC2 (0.36) | — | |
| SCHEMBL10886779 | 0.54 | KDM4E (0.39) | — | |
| SCHEMBL1115531 | 0.53 | PTPN1 (0.37) | — | |
| SCHEMBL11111111 | 0.52 | OPRD1 (0.35) | — | |
| SCHEMBL18203509 | 0.51 | MEN1 (0.34) | — | |
| SCHEMBL10361252 | 0.51 | CHRM2 (0.51) | — | |
| SCHEMBL620140 | 0.50 | SLC6A3 (0.38) | — | |
| SCHEMBL23466917 | 0.49 | KDM4E (0.37) | — |
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-2430029-A1 | THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS | Katholieke Universiteit Leuven (BE) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010130842-A1 | THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2010-11-18 | — | — | WO | disclosed |