⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23471469 | 0.81 | GAA (0.36) | — | |
| SCHEMBL1183788 | 0.81 | SIGMAR1 (0.45) | — | |
| SCHEMBL24254943 | 0.78 | BRD4 (0.32) | — | |
| SCHEMBL3326829 | 0.76 | BRD4 (0.31) | — | |
| SCHEMBL12337636 | 0.76 | MEN1 (0.46) | — | |
| SCHEMBL22834149 | 0.75 | — | — | |
| SCHEMBL22326402 | 0.75 | SIGMAR1 (0.46) | — | |
| SCHEMBL12312769 | 0.75 | CA1 (0.38) | — | |
| SCHEMBL15292526 | 0.75 | CA1 (0.38) | — | |
| SCHEMBL13555595 | 0.73 | — | — |
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-1794129-B1 | Synthesis by chiral diamine-mediated asymmetric alkylation | JANSSEN PHARMACEUTICA NV (BE) | 2015-12-30 | — | — | EP | disclosed |