⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14994796 | 0.90 | — | — | |
| SCHEMBL8546199 | 0.86 | — | — | |
| SCHEMBL15561416 | 0.80 | — | — | |
| SCHEMBL1462228 | 0.78 | — | — | |
| SCHEMBL420031 | 0.73 | — | — | |
| SCHEMBL7781364 | 0.72 | — | — | |
| SCHEMBL525127 | 0.69 | — | — | |
| SCHEMBL1827135 | 0.69 | — | — | |
| SCHEMBL4624303 | 0.69 | — | — | |
| SCHEMBL15741587 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2880033-A1 | CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF | Purdue Pharma LP (US) | 2015-06-10 | — | — | EP | disclosed |
| EP-2797912-A1 | AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | Purdue Pharma LP (US) | 2014-11-05 | — | — | EP | disclosed |
| WO-2014102588-A2 | INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2014-07-03 | — | — | WO | disclosed |
| WO-2014102590-A1 | SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2014-07-03 | — | — | WO | disclosed |
| WO-2014020405-A1 | CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA L.P. (US) | 2014-02-06 | — | — | WO | disclosed |
| WO-2013080036-A1 | AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2013-06-06 | — | — | WO | disclosed |
| EP-1399431-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |