⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24310131 | 0.86 | — | — | |
| SCHEMBL24310452 | 0.83 | HTR1A (0.38) | — | |
| SCHEMBL29566521 | 0.83 | HTR1A (0.38) | — | |
| SCHEMBL24309974 | 0.78 | MAP4K1 (0.32) | — | |
| SCHEMBL24310068 | 0.76 | EGFR (0.35) | — | |
| SCHEMBL24309426 | 0.72 | HTR1A (0.42) | — | |
| SCHEMBL24309438 | 0.71 | GABRG2 (0.30) | — | |
| SCHEMBL24309503 | 0.71 | KDM5A (0.34) | — | |
| SCHEMBL24309785 | 0.69 | MAP4K1 (0.33) | — | |
| SCHEMBL24310132 | 0.69 | HTR1A (0.35) | — |
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 |