⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24579060 | 0.89 | KDM1A (0.31) | — | |
| SCHEMBL24578956 | 0.89 | — | — | |
| SCHEMBL24579051 | 0.85 | IRAK4 (0.31) | — | |
| SCHEMBL24577847 | 0.85 | IRAK4 (0.33) | — | |
| SCHEMBL24579181 | 0.84 | — | — | |
| SCHEMBL24579106 | 0.83 | RAB9A (0.34) | — | |
| SCHEMBL24577394 | 0.83 | POLB (0.33) | — | |
| SCHEMBL24578957 | 0.82 | RAB9A (0.34) | — | |
| SCHEMBL24577267 | 0.82 | WNT1 (0.33) | — | |
| SCHEMBL24577955 | 0.79 | NPC1 (0.30) | — |
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 |