⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18780030 | 1.00 | — | — | |
| SCHEMBL14085327 | 0.75 | — | — | |
| SCHEMBL17188605 | 0.75 | — | — | |
| SCHEMBL17188594 | 0.75 | — | — | |
| SCHEMBL17188589 | 0.75 | — | — | |
| SCHEMBL193084 | 0.72 | — | — | |
| SCHEMBL14085326 | 0.71 | — | — | |
| SCHEMBL14085333 | 0.71 | — | — | |
| SCHEMBL14197379 | 0.71 | — | — | |
| SCHEMBL17188590 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9161922-B2 | Amine oxidase inhibitors | CASE WESTERN RESERVE UNIVERSITY (US) | 2015-10-20 | — | — | US | disclosed |
| US-9161922-B2 | Amine oxidase inhibitors | CASE WESTERN RESERVE UNIVERSITY (US) | 2015-10-20 | — | — | US | disclosed |
| US-20080199933-A1 | Amine Oxidase Inhibitors | SAYRE LAWRENCE M | 2008-08-21 | — | — | US | disclosed |
| US-20080199933-A1 | Amine Oxidase Inhibitors | SAYRE LAWRENCE M | 2008-08-21 | — | — | US | disclosed |