⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15665904 | 0.98 | — | — | |
| SCHEMBL550678 | 0.93 | CA1 (0.30) | — | |
| SCHEMBL523813 | 0.84 | CA1 (0.30) | — | |
| SCHEMBL9934016 | 0.84 | CA1 (0.34) | — | |
| SCHEMBL551587 | 0.81 | — | — | |
| SCHEMBL550470 | 0.80 | CA1 (0.34) | — | |
| SCHEMBL285819 | 0.78 | — | — | |
| SCHEMBL13738490 | 0.78 | — | — | |
| SCHEMBL15847568 | 0.78 | — | — | |
| SCHEMBL320835 | 0.78 | — | — |
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-20140128346-A1 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2014-05-08 | — | — | US | disclosed |
| EP-2086958-A2 | SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF | Purdue Pharma LP (US) | 2009-08-12 | — | — | EP | disclosed |
| WO-2009027820-A2 | SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA L.P. (DE) | 2009-03-05 | — | — | WO | disclosed |