⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3638315 | 0.77 | — | — | |
| SCHEMBL11233495 | 0.76 | — | — | |
| SCHEMBL9957713 | 0.75 | — | — | |
| SCHEMBL1501249 | 0.74 | POLA1 (0.32) | — | |
| SCHEMBL28428889 | 0.72 | — | — | |
| SCHEMBL3517582 | 0.70 | — | — | |
| SCHEMBL2551319 | 0.70 | — | — | |
| SCHEMBL8346988 | 0.68 | — | — | |
| SCHEMBL11010373 | 0.64 | — | — | |
| SCHEMBL4971078 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3541390-A1 | PYRROLOPYRIMIDINES AS CFTR POTENTIATORS | Cystic Fibrosis Foundation Therapeutics Inc. (US) | 2019-09-25 | — | — | EP | disclosed |
| WO-2018094137-A1 | PYRROLOPYRIMIDINES AS CFTR POTENTIATORS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) | 2018-05-24 | — | — | WO | disclosed |