⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6832191 | 0.73 | — | — | |
| SCHEMBL13469386 | 0.73 | — | — | |
| SCHEMBL1132719 | 0.73 | — | — | |
| SCHEMBL14220944 | 0.68 | KCNH2 (0.33) | — | |
| SCHEMBL6155854 | 0.67 | — | — | |
| SCHEMBL20139160 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL17493931 | 0.67 | KCNH2 (0.35) | — | |
| SCHEMBL9948186 | 0.67 | — | — | |
| SCHEMBL33775 | 0.66 | — | — | |
| SCHEMBL13331949 | 0.64 | KCNH2 (0.35) | — |
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-2018052772-A1 | HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |