⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21335566 | 0.77 | — | — | |
| SCHEMBL19256981 | 0.74 | — | — | |
| SCHEMBL25756822 | 0.72 | — | — | |
| SCHEMBL19301802 | 0.72 | — | — | |
| SCHEMBL25756848 | 0.72 | — | — | |
| SCHEMBL17916704 | 0.72 | — | — | |
| SCHEMBL22115100 | 0.72 | — | — | |
| SCHEMBL21188799 | 0.72 | — | — | |
| SCHEMBL18967294 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL17912394 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3833439-B1 | BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES | BRISTOL MYERS SQUIBB CO (US) | 2023-07-12 | — | — | EP | disclosed |