⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24864627 | 0.90 | LMNA (0.37) | — | |
| SCHEMBL29342248 | 0.90 | LMNA (0.37) | — | |
| SCHEMBL21483116 | 0.90 | LMNA (0.37) | — | |
| Hydrochloric Acid SCHEMBL21460762 | 0.89 | LMNA (0.35) | — | |
| Hydrochloric Acid SCHEMBL21460758 | 0.89 | LMNA (0.35) | — | |
| SCHEMBL29336816 | 0.86 | LMNA (0.31) | — | |
| SCHEMBL29336817 | 0.84 | — | — | |
| SCHEMBL27291425 | 0.82 | LMNA (0.31) | — | |
| SCHEMBL20209134 | 0.79 | — | — | |
| SCHEMBL24864448 | 0.78 | MEN1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3697788-B1 | BIS(PENTAHYDROXYHEXYL)AMINO SUBSTITUTED 2-{[(3-AMINO-PYRAZIN-2-YL)FORMAMIDO]METHYL}-1H-1,3-BENZODIAZOL-3-IUM DERIVATIVES AS ENAC INHIBITORS FOR TREATING RESPIRATORY DISEASES | ENTERPRISE THERAPEUTICS LTD (GB) | 2021-12-15 | — | — | EP | disclosed |
| EP-3544981-B1 | BENZODIAZOLIUM COMPOUNDS AS ENAC INHIBITORS | ENTERPRISE THERAPEUTICS LTD (GB) | 2021-06-23 | — | — | EP | disclosed |
| WO-2019077340-A1 | BIS(PENTAHYDROXYHEXYL)AMINO SUBSTITUTED 2-{[(3-AMINO-PYRAZIN-2-YL)FORMAMIDO]METHYL}-1H-1,3-BENZODIAZOL-3-IUM DERIVATIVES AS ENAC INHIBITORS FOR TREATING RESPIRATORY DISEASES | Enterprise Therapeutics Limited (GB) | 2019-04-25 | — | — | WO | disclosed |
| WO-2018096325-A1 | BENZODIAZOLIUM COMPOUNDS AS ENAC INHIBITORS | Enterprise Therapeutics Limited (GB) | 2018-05-31 | — | — | WO | disclosed |