⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20182295 | 0.90 | MTOR (0.33) | — | |
| SCHEMBL20182343 | 0.84 | ADK (0.31) | — | |
| SCHEMBL20181904 | 0.82 | PDPK1 (0.36) | — | |
| SCHEMBL20181907 | 0.81 | EGFR (0.35) | — | |
| SCHEMBL20182242 | 0.74 | MEN1 (0.30) | — | |
| SCHEMBL20182234 | 0.72 | EGFR (0.35) | — | |
| SCHEMBL20182283 | 0.71 | NTRK1 (0.36) | — | |
| SCHEMBL20182228 | 0.70 | KDR (0.45) | — | |
| SCHEMBL20182362 | 0.70 | CFTR (0.40) | — | |
| SCHEMBL30037263 | 0.69 | CFTR (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-2018094137-A1 | PYRROLOPYRIMIDINES AS CFTR POTENTIATORS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) | 2018-05-24 | — | — | WO | disclosed |