⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL96416 | 0.76 | — | — | |
| SCHEMBL9327069 | 0.73 | — | — | |
| SCHEMBL13369231 | 0.73 | — | — | |
| SCHEMBL9446179 | 0.72 | HCAR2 (0.34) | — | |
| SCHEMBL21393679 | 0.70 | BRD4 (0.37) | — | |
| SCHEMBL13890117 | 0.68 | RXFP1 (0.34) | — | |
| SCHEMBL13018013 | 0.67 | ERN1 (0.36) | — | |
| SCHEMBL9880646 | 0.67 | — | — | |
| SCHEMBL3164751 | 0.67 | BRD4 (0.35) | — | |
| SCHEMBL1645286 | 0.66 | ERN1 (0.53) | — |
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-9981901-B2 | IRE-1α inhibitors | FOSUN ORINOVE PHARMATECH, INC. (CN) | 2018-05-29 | — | — | US | disclosed |
| US-20170152206-A1 | IRE-1alpha INHIBITORS | FOSUN ORINOVE PHARMATECH, INC. (CN) | 2017-06-01 | — | — | US | disclosed |
| US-9546149-B2 | IRE-1α inhibitors | MANNKIND CORPORATION (US) | 2017-01-17 | — | — | US | disclosed |
| US-20160168116-A1 | IRE-1alpha Inhibitors | FOSUN ORINOVE PHARMATECH, INC. (CN) | 2016-06-16 | — | — | US | disclosed |
| US-9241942-B2 | IRE-1α inhibitors | MANNKIND CORPORATION (US) | 2016-01-26 | — | — | US | disclosed |
| US-20140080832-A1 | IRE-1alpha INHIBITORS | MANNKIND CORPORATION (US) | 2014-03-20 | — | — | US | disclosed |
| US-20110065162-A1 | IRE-1alpha INHIBITORS | MANNKIND CORPORATION (US) | 2011-03-17 | — | — | US | disclosed |
| US-7858666-B2 | inositol requiring enzyme 1 (IRE-1 alpha) inhibitors such as 2-hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde, relieve protein folding stress by enhancing molecular chaperone activity and protects cells from stress induced apoptosis; autoimmune diseases; anticancer; viricides | MANNKIND CORPORATION (US) | 2010-12-28 | — | — | US | disclosed |
| US-20090186893-A1 | IRE-1alpha INHIBITORS | MANNKIND CORPORATION (US) | 2009-07-23 | — | — | US | disclosed |