⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24309551 | 0.88 | FYN (0.32) | — | |
| SCHEMBL24310590 | 0.83 | IGF1R (0.31) | — | |
| SCHEMBL24310158 | 0.83 | MAP4K1 (0.37) | — | |
| SCHEMBL24309647 | 0.80 | MAP3K7 (0.32) | — | |
| SCHEMBL24310217 | 0.79 | HTR1A (0.31) | — | |
| SCHEMBL24310153 | 0.78 | CTSC (0.36) | — | |
| SCHEMBL24309862 | 0.78 | TNK2 (0.32) | — | |
| SCHEMBL24310812 | 0.78 | — | — | |
| SCHEMBL24309576 | 0.77 | JAK2 (0.33) | — | |
| SCHEMBL24310171 | 0.77 | CTSC (0.36) | — |
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 |