⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26350611 | 0.83 | — | — | |
| SCHEMBL12643237 | 0.74 | — | — | |
| SCHEMBL19089959 | 0.72 | — | — | |
| SCHEMBL19308608 | 0.70 | — | — | |
| SCHEMBL22990345 | 0.70 | — | — | |
| SCHEMBL19787752 | 0.67 | — | — | |
| SCHEMBL19833421 | 0.67 | — | — | |
| SCHEMBL21784455 | 0.67 | — | — | |
| SCHEMBL22990344 | 0.67 | — | — | |
| SCHEMBL23768628 | 0.65 | — | — |
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-3321261-B1 | HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES | CURIS INC (US) | 2020-06-17 | — | — | EP | disclosed |
| EP-3321261-A1 | HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES | Curis, Inc. (US) | 2018-05-16 | — | — | EP | disclosed |