⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24843318 | 0.82 | — | — | |
| SCHEMBL30702049 | 0.76 | NFATC1 (0.36) | — | |
| SCHEMBL19662830 | 0.72 | NOTUM (0.45) | — | |
| SCHEMBL114637 | 0.70 | POLB (0.31) | — | |
| SCHEMBL16923788 | 0.66 | HTR6 (0.35) | — | |
| SCHEMBL1874901 | 0.65 | KCNH2 (0.37) | — | |
| SCHEMBL23487171 | 0.63 | HSD17B10 (0.37) | — | |
| SCHEMBL24798631 | 0.63 | — | — | |
| SCHEMBL16916942 | 0.62 | PIK3C3 (0.47) | — | |
| SCHEMBL2411996 | 0.62 | PI4KA (0.32) | — |
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-3892278-B1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2024-02-28 | — | — | EP | disclosed |
| EP-3892278-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2021-10-13 | — | — | EP | disclosed |