⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24577132 | 0.83 | NAMPT (0.38) | — | |
| SCHEMBL24577155 | 0.82 | IKBKE (0.34) | — | |
| SCHEMBL24577112 | 0.81 | HDAC6 (0.34) | — | |
| SCHEMBL24577993 | 0.78 | MAPT (0.31) | — | |
| SCHEMBL24577174 | 0.76 | IKBKE (0.38) | — | |
| SCHEMBL24578874 | 0.76 | IKBKE (0.40) | — | |
| SCHEMBL24578879 | 0.75 | PDE3B (0.33) | — | |
| SCHEMBL24577143 | 0.74 | KMT2A (0.33) | — | |
| SCHEMBL24577200 | 0.71 | HDAC6 (0.33) | — | |
| SCHEMBL24577786 | 0.71 | IKBKE (0.34) | — |
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-2022136509-A1 | PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2022-06-30 | — | — | WO | disclosed |