⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20162819 | 1.00 | — | — | |
| SCHEMBL20162917 | 1.00 | — | — | |
| SCHEMBL20173297 | 1.00 | — | — | |
| SCHEMBL20163028 | 0.92 | — | — | |
| SCHEMBL20163068 | 0.92 | — | — | |
| SCHEMBL30538082 | 0.92 | — | — | |
| SCHEMBL20173296 | 0.92 | — | — | |
| SCHEMBL20163157 | 0.79 | FFAR4 (0.31) | — | |
| SCHEMBL20163159 | 0.79 | FFAR4 (0.31) | — | |
| SCHEMBL30037545 | 0.79 | FFAR4 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115850268-A | Pyrrolopyrimidines as CFTR potentiators | 囊性纤维化基金会 | 2023-03-28 | — | — | CN | disclosed |
| CN-110337294-B | Pyrrolopyrimidines as CFTR potentiators | 囊性纤维化基金会 | 2022-11-01 | — | — | CN | disclosed |