⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10667700 | 0.86 | LMNA (0.34) | — | |
| SCHEMBL11605748 | 0.86 | LMNA (0.34) | — | |
| SCHEMBL952545 | 0.73 | — | — | |
| SCHEMBL10049422 | 0.73 | — | — | |
| SCHEMBL11965827 | 0.73 | — | — | |
| SCHEMBL14235572 | 0.71 | — | — | |
| SCHEMBL19313229 | 0.71 | — | — | |
| SCHEMBL23794350 | 0.71 | — | — | |
| SCHEMBL19773750 | 0.71 | — | — | |
| SCHEMBL18882542 | 0.71 | — | — |
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-3091013-B1 | 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2018-08-08 | — | — | EP | disclosed |