⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24994949 | 0.83 | EPHX1 (0.48) | — | |
| SCHEMBL14085328 | 0.82 | — | — | |
| SCHEMBL9143407 | 0.79 | — | — | |
| SCHEMBL55369 | 0.77 | — | — | |
| SCHEMBL5167647 | 0.77 | — | — | |
| SCHEMBL18472540 | 0.74 | — | — | |
| SCHEMBL17188591 | 0.74 | — | — | |
| SCHEMBL14601389 | 0.74 | — | — | |
| SCHEMBL28306753 | 0.73 | — | — | |
| SCHEMBL4448514 | 0.73 | — | — |
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-8008440-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2011-08-30 | — | — | US | disclosed |
| US-20080199933-A1 | Amine Oxidase Inhibitors | SAYRE LAWRENCE M | 2008-08-21 | — | — | US | disclosed |
| US-20070117154-A1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) | 2007-05-24 | — | — | US | disclosed |