⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8639958 | 0.82 | — | — | |
| SCHEMBL1714339 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL1755701 | 0.76 | — | — | |
| SCHEMBL1714494 | 0.73 | SORT1 (0.37) | — | |
| SCHEMBL26514376 | 0.71 | PARP1 (0.33) | — | |
| SCHEMBL11019130 | 0.71 | GABRA1 (0.35) | — | |
| SCHEMBL1319575 | 0.68 | LMNA (0.33) | — | |
| SCHEMBL791418 | 0.67 | — | — | |
| SCHEMBL29899857 | 0.67 | — | — | |
| SCHEMBL1714796 | 0.66 | MAOA (0.50) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130289022-A1 | TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF | BRANDEIS UNIVERSITY (US) | 2013-10-31 | — | — | US | disclosed |
| US-8318952-B2 | Substituted indole derivatives for the treatment of respiratory diseases | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-11-27 | — | — | US | disclosed |
| US-8178536-B2 | Sirtuin modulating compounds | SIRTRIS PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| US-20110130387-A1 | SIRTUIN MODULATING COMPOUNDS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2011-06-02 | — | — | US | disclosed |
| US-20100234368-A1 | CONDENSED RING COMPOUND AND USE THEREOF | TAKEUCHI JUN | 2010-09-16 | — | — | US | disclosed |
| US-7763610-B2 | Carboxylic acid derived benzoxazines as agents for the treatment of respiratory diseases | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-07-27 | — | — | US | disclosed |
| US-20100048536-A1 | Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands | GENESTE HERVE | 2010-02-25 | — | — | US | disclosed |
| US-20080221082-A1 | Ligands of Integrin Receptors | ABBOTT GMBH & CO. KG (DE) | 2008-09-11 | — | — | US | disclosed |
| US-7279468-B2 | Integrin ligands | ABBOTT GMBH & CO. KG (DE) | 2007-10-09 | — | — | US | disclosed |