⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24309724 | 0.80 | — | — | |
| SCHEMBL26807639 | 0.73 | TSHR (0.47) | — | |
| SCHEMBL24310336 | 0.72 | GPR39 (0.33) | — | |
| SCHEMBL24310117 | 0.72 | AURKB (0.33) | — | |
| SCHEMBL29566989 | 0.72 | NUDT1 (0.43) | — | |
| SCHEMBL24309816 | 0.72 | NUDT1 (0.43) | — | |
| SCHEMBL24310321 | 0.72 | NUDT1 (0.43) | — | |
| SCHEMBL24309395 | 0.70 | — | — | |
| SCHEMBL24310554 | 0.69 | F10 (0.34) | — | |
| SCHEMBL24310676 | 0.68 | — | — |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |