⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14642043 | 0.82 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL22187119 | 0.82 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL28820746 | 0.81 | PPARG (0.42) | — | |
| SCHEMBL307121 | 0.79 | — | — | |
| SCHEMBL10499492 | 0.79 | — | — | |
| SCHEMBL821820 | 0.77 | CNR2 (0.36) | — | |
| SCHEMBL12785469 | 0.76 | CNR2 (0.50) | — | |
| SCHEMBL111177 | 0.76 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL11100545 | 0.75 | — | — | |
| SCHEMBL820926 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346831-B1 | HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2015-01-07 | — | — | EP | 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 |
| 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 |