⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8067844 | 0.91 | OPRM1 (0.43) | — | |
| SCHEMBL16926996 | 0.88 | TSHR (0.44) | — | |
| SCHEMBL28287650 | 0.88 | TSHR (0.44) | — | |
| SCHEMBL5067840 | 0.88 | TSHR (0.44) | — | |
| SCHEMBL2218808 | 0.87 | — | — | |
| SCHEMBL5819405 | 0.84 | OPRM1 (0.48) | — | |
| Ether SCHEMBL17045842 | 0.78 | OPRM1 (0.39) | — | |
| SCHEMBL23524447 | 0.73 | DNM1 (0.45) | — | |
| SCHEMBL27448141 | 0.73 | DNM1 (0.45) | — | |
| SCHEMBL18244962 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8629126-B2 | Quinolone derivative or pharmaceutically acceptable salt thereof | ASTELLAS PHARMA INC. (JP) | 2014-01-14 | — | — | US | disclosed |
| WO-2013008951-A1 | ORGANIC DYE, DYE-SENSITIZED METAL OXIDE SEMICONDUCTOR ELECTRODE AND DYE-SENSITIZED SOLAR CELL | NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) | 2013-01-17 | — | — | WO | disclosed |
| US-20120136025-A1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2012-05-31 | — | — | US | disclosed |
| US-8133882-B2 | Quinolone derivative or pharmaceutically acceptable salt thereof | ASTELLAS PHARMA INC (JP) | 2012-03-13 | — | — | US | disclosed |
| EP-1995240-B1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ASTELLAS PHARMA INC (JP) | 2012-02-22 | — | — | EP | disclosed |
| US-20090197834-A1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2009-08-06 | — | — | US | disclosed |
| EP-1995240-A1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Astellas Pharma Inc. (JP) | 2008-11-26 | — | — | EP | disclosed |
| CN-101052630-A | Substituted heterocyclic compounds and uses thereof | CELGENE CORP (US) | 2007-10-10 | — | — | CN | disclosed |
| US-4698093-A | POST, PRE EMERGENTS | MONSANTO COMPANY (US) | 1987-10-06 | — | — | US | disclosed |