⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3780428 | 0.87 | — | — | |
| SCHEMBL3765627 | 0.83 | CASP3 (0.41) | — | |
| SCHEMBL3765793 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL3773043 | 0.77 | KMT2A (0.31) | — | |
| SCHEMBL3774138 | 0.75 | — | — | |
| SCHEMBL3779179 | 0.71 | ROCK2 (0.32) | — | |
| SCHEMBL3772244 | 0.69 | CASP3 (0.34) | — | |
| SCHEMBL3145277 | 0.67 | — | — | |
| SCHEMBL3773660 | 0.66 | CYP4A11 (0.31) | — | |
| SCHEMBL3778331 | 0.66 | SYK (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100317698-A1 | Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them | LES LABORATOIRES SERVIER (FR) | 2010-12-16 | — | — | US | disclosed |