⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21207059 | 0.87 | OPRM1 (0.31) | — | |
| SCHEMBL12345491 | 0.84 | — | — | |
| SCHEMBL16731191 | 0.81 | — | — | |
| SCHEMBL880511 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL880520 | 0.76 | — | — | |
| SCHEMBL15318102 | 0.74 | SLC18A2 (0.33) | — | |
| SCHEMBL20206472 | 0.72 | — | — | |
| SCHEMBL20865484 | 0.69 | — | — | |
| SCHEMBL13354236 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL25529703 | 0.65 | — | — |
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-20180148449-A1 | Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof | PURDUE PHARMA L.P. | 2018-05-31 | — | — | US | disclosed |
| US-9890164-B2 | Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators | PURDUE PHARMA, L.P. (US) | 2018-02-13 | — | — | US | disclosed |
| EP-2324013-B1 | SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA LP (US) | 2012-09-19 | — | — | EP | disclosed |