⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5924367 | 0.88 | NOS2 (0.46) | — | |
| SCHEMBL474833 | 0.86 | KCNH2 (0.46) | — | |
| SCHEMBL27661521 | 0.84 | KCNH2 (0.48) | — | |
| SCHEMBL27681192 | 0.84 | KCNH2 (0.48) | — | |
| SCHEMBL8521631 | 0.84 | KCNH2 (0.48) | — | |
| SCHEMBL18794910 | 0.84 | KCNH2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL12821604 | 0.83 | KCNH2 (0.47) | — | |
| SCHEMBL4743718 | 0.82 | — | — | |
| SCHEMBL16579802 | 0.82 | BACE1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7957510 | 0.80 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017205769-A1 | INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE | PHARMACYCLICS LLC (US) | 2017-11-30 | — | — | WO | disclosed |
| WO-2017205762-A1 | INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE | PHARMACYCLICS LLC (US) | 2017-11-30 | — | — | WO | disclosed |
| WO-2017205766-A1 | INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE | PHARMACYCLICS LLC (US) | 2017-11-30 | — | — | WO | disclosed |
| US-8653124-B2 | Inhibition of bacterial biofilms with imidazole derivatives | NORTH CAROLINA STATE UNIVERSITY (US) | 2014-02-18 | — | — | US | disclosed |
| US-20060089316-A1 | Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof | BROWN TRUMAN R | 2006-04-27 | — | — | US | disclosed |
| US-5358960-A | Stabilization of protein; aging resistance | THE ROCKEFELLER UNIVERSITY (US) | 1994-10-25 | — | — | US | disclosed |