⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12345491 | 0.94 | — | — | |
| SCHEMBL12345488 | 0.81 | — | — | |
| SCHEMBL12345489 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL13242721 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL14327665 | 0.78 | OPRM1 (0.31) | — | |
| SCHEMBL880389 | 0.77 | OPRM1 (0.31) | — | |
| SCHEMBL13242811 | 0.76 | OPRM1 (0.32) | — | |
| SCHEMBL880511 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL880527 | 0.73 | ACHE (0.33) | — | |
| SCHEMBL10285470 | 0.73 | ACHE (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9278967-B2 | Substituted-quinoxaline-type piperidine compounds and the uses thereof | PURDUE PHARMA L.P. (US) | 2016-03-08 | — | — | US | disclosed |
| US-20150141643-A1 | SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA L.P. | 2015-05-21 | — | — | US | disclosed |