⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18779683 | 0.70 | — | — | |
| SCHEMBL16682997 | 0.70 | — | — | |
| SCHEMBL12410036 | 0.70 | — | — | |
| SCHEMBL18779681 | 0.70 | — | — | |
| SCHEMBL12410032 | 0.67 | — | — | |
| SCHEMBL170645 | 0.64 | — | — | |
| SCHEMBL13803139 | 0.64 | — | — | |
| SCHEMBL13605266 | 0.63 | — | — | |
| SCHEMBL13221490 | 0.63 | CHRNB2 (0.45) | — | |
| SCHEMBL13106755 | 0.63 | APLNR (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9469615-B2 | Quinoxalines and AZA-quinoxalines as CRTH2 receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2016-10-18 | — | — | US | disclosed |
| US-20130303517-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME LLC | 2013-11-14 | — | — | US | disclosed |
| US-20110166124-A1 | TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE | MCCORMICK KEVIN D | 2011-07-07 | — | — | US | disclosed |