⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL383269 | 0.90 | AKR1C1 (0.34) | — | |
| SCHEMBL383939 | 0.88 | CYP2C19 (0.35) | — | |
| SCHEMBL761047 | 0.77 | — | — | |
| SCHEMBL5034321 | 0.77 | — | — | |
| SCHEMBL16708943 | 0.77 | FFAR3 (0.32) | — | |
| SCHEMBL9664829 | 0.73 | — | — | |
| SCHEMBL6291533 | 0.73 | NPSR1 (0.38) | — | |
| SCHEMBL28307627 | 0.69 | — | — | |
| SCHEMBL2151136 | 0.69 | ALDH1A1 (0.39) | — | |
| Formamide SCHEMBL29140002 | 0.69 | FFAR3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106164066-A | Cyclopropylamines as lsd1 inhibitors | 因赛特公司 | 2016-11-23 | — | — | CN | disclosed |