⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1579633 | 1.00 | — | — | |
| SCHEMBL2301161 | 1.00 | — | — | |
| SCHEMBL28185496 | 1.00 | — | — | |
| SCHEMBL28195132 | 1.00 | — | — | |
| SCHEMBL2301159 | 1.00 | — | — | |
| SCHEMBL2301157 | 1.00 | — | — | |
| SCHEMBL1579635 | 1.00 | — | — | |
| SCHEMBL28292900 | 0.94 | SLC6A3 (0.36) | — | |
| Propanol SCHEMBL28038118 | 0.92 | ALDH1A1 (0.35) | — | |
| Propionaldehyde SCHEMBL28037769 | 0.89 | ALDH1A1 (0.33) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115087-B2 | Squaramide derivatives as CXCR2 antagonist | NOVARTIS AG (CH) | 2015-08-25 | — | — | US | disclosed |
| US-20140213594-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2014-07-31 | — | — | US | disclosed |
| US-8722925-B2 | Squaramide derivatives as CXCR2 antagonist | NOVARTIS AG (CH) | 2014-05-13 | — | — | US | disclosed |
| EP-2310359-B1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2014-01-15 | — | — | EP | disclosed |
| US-20130005735-A1 | ORGANIC COMPOUNDS | NOVARTIS AG | 2013-01-03 | — | — | US | disclosed |
| US-8329754-B2 | Squaramide derivatives as CXCR2 antagonist | NOVARTIS AG (CH) | 2012-12-11 | — | — | US | disclosed |
| US-8288588-B2 | Squaramide derivatives as CXCR2 antagonist | NOVARTIS AG (CH) | 2012-10-16 | — | — | US | disclosed |
| US-20110251205-A1 | SQUARAMIDE DERIVATIVES AS CXCR2 ANTAGONIST | NOVARTIS AG | 2011-10-13 | — | — | US | disclosed |
| US-20110251206-A1 | Squaramide derivatives as CXCR2 antagonist | NOVARTIS AG | 2011-10-13 | — | — | US | disclosed |
| US-7989497-B2 | Squaramide derivatives as CXCR2 antagonist | NOVARTIS AG (CH) | 2011-08-02 | — | — | US | disclosed |
| US-20100029670-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2010-02-04 | — | — | US | disclosed |