⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23865782 | 0.89 | — | — | |
| SCHEMBL22778851 | 0.77 | — | — | |
| SCHEMBL23746508 | 0.76 | JAK2 (0.34) | — | |
| SCHEMBL18969324 | 0.75 | — | — | |
| SCHEMBL22778852 | 0.73 | DNM1 (0.31) | — | |
| SCHEMBL22778595 | 0.71 | OPRM1 (0.33) | — | |
| SCHEMBL23746507 | 0.71 | — | — | |
| SCHEMBL22000500 | 0.70 | FDPS (0.32) | — | |
| SCHEMBL23219733 | 0.70 | FDPS (0.33) | — | |
| SCHEMBL18390359 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220402950-A1 | SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2022-12-22 | — | — | US | disclosed |