⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24310453 | 0.86 | — | — | |
| SCHEMBL29567023 | 0.83 | HTR1A (0.35) | — | |
| SCHEMBL24310132 | 0.83 | HTR1A (0.35) | — | |
| SCHEMBL24310154 | 0.80 | — | — | |
| SCHEMBL24310186 | 0.78 | CTSC (0.35) | — | |
| SCHEMBL24310776 | 0.77 | CTSC (0.37) | — | |
| SCHEMBL24310092 | 0.77 | MAP4K1 (0.31) | — | |
| SCHEMBL24309552 | 0.76 | MAPK7 (0.32) | — | |
| SCHEMBL24309562 | 0.76 | FLT4 (0.32) | — | |
| SCHEMBL24310531 | 0.75 | CTSC (0.32) | — |
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 |