⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22142306 | 0.79 | — | — | |
| SCHEMBL26999059 | 0.66 | — | — | |
| SCHEMBL25850549 | 0.63 | — | — | |
| SCHEMBL13600026 | 0.63 | NCF1 (0.41) | — | |
| SCHEMBL19534541 | 0.63 | NCF1 (0.41) | — | |
| SCHEMBL28886944 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL22142391 | 0.61 | — | — | |
| SCHEMBL22142065 | 0.61 | — | — | |
| SCHEMBL28618386 | 0.61 | — | — | |
| SCHEMBL25629788 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11168093-B2 | Thienopyridine inhibitors of RIPK2 | CELGENE CORPORATION (US) | 2021-11-09 | — | — | US | disclosed |
| US-20200199148-A1 | THIENOPYRIDINE INHIBITORS OF RIPK2 | CELGENE CORPORATION | 2020-06-25 | — | — | US | disclosed |