⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16072388 | 0.83 | — | — | |
| SCHEMBL24538161 | 0.83 | — | — | |
| SCHEMBL25849303 | 0.83 | NOS3 (0.31) | — | |
| SCHEMBL13703579 | 0.82 | — | — | |
| SCHEMBL17704664 | 0.79 | — | — | |
| SCHEMBL11904191 | 0.79 | TLR4 (0.32) | — | |
| SCHEMBL21022059 | 0.77 | — | — | |
| SCHEMBL21105349 | 0.77 | — | — | |
| SCHEMBL16072224 | 0.76 | TLR4 (0.34) | — | |
| SCHEMBL22097907 | 0.76 | EPHX2 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3512837-B1 | PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 | BOEHRINGER INGELHEIM INT (DE) | 2020-07-22 | — | — | EP | disclosed |
| WO-2018052773-A1 | PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |