⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22328994 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL17722008 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL11161205 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL13339645 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL18265536 | 0.73 | — | — | |
| SCHEMBL597865 | 0.71 | TSHR (0.46) | — | |
| SCHEMBL20177102 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL13588632 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL19446715 | 0.71 | — | — | |
| SCHEMBL13588635 | 0.71 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3119752-B1 | 3,4-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF ENAC MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2018-05-16 | — | — | EP | disclosed |