⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19021611 | 0.77 | — | — | |
| SCHEMBL24896835 | 0.75 | — | — | |
| SCHEMBL19154448 | 0.73 | HRH3 (0.31) | — | |
| SCHEMBL19322690 | 0.73 | POLB (0.37) | — | |
| SCHEMBL19560009 | 0.72 | HRH3 (0.31) | — | |
| SCHEMBL23836930 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL23377728 | 0.72 | — | — | |
| SCHEMBL20099577 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL15184433 | 0.69 | — | — | |
| SCHEMBL22737961 | 0.69 | FFAR1 (0.38) | — |
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-2021030556-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-02-18 | — | — | WO | disclosed |