⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17780193 | 0.81 | — | — | |
| SCHEMBL13069814 | 0.73 | KCNH2 (0.34) | — | |
| SCHEMBL17778085 | 0.73 | KCNH2 (0.35) | — | |
| SCHEMBL17778120 | 0.73 | KCNH2 (0.35) | — | |
| SCHEMBL17778096 | 0.72 | CA12 (0.42) | — | |
| SCHEMBL12678543 | 0.72 | CA12 (0.42) | — | |
| SCHEMBL17778097 | 0.72 | CA12 (0.42) | — | |
| SCHEMBL13069803 | 0.72 | FUCA1 (0.31) | — | |
| SCHEMBL13439143 | 0.71 | KCNH2 (0.33) | — | |
| SCHEMBL17778104 | 0.71 | — | — |
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-2016081679-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-05-26 | — | — | WO | disclosed |