⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10165901 | 0.91 | ALDH1A1 (0.35) | — | |
| SCHEMBL10151319 | 0.86 | PDE9A (0.34) | — | |
| SCHEMBL6796573 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL6794677 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL6795766 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL10132910 | 0.83 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL6742301 | 0.83 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL2673078 | 0.81 | MGLL (0.37) | — | |
| SCHEMBL2673081 | 0.81 | MGLL (0.37) | — | |
| SCHEMBL2673084 | 0.81 | MGLL (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8173631-B2 | Cyclic amine compounds | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-05-08 | — | — | US | disclosed |
| US-20110319468-A1 | CYCLIC AMINE COMPOUNDS | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-12-29 | — | — | US | disclosed |