⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12948585 | 0.86 | — | — | |
| SCHEMBL4892641 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL9062615 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL27146026 | 0.67 | GRIK1 (0.32) | — | |
| SCHEMBL2474051 | 0.67 | — | — | |
| SCHEMBL493847 | 0.65 | — | — | |
| SCHEMBL6664205 | 0.64 | — | — | |
| SCHEMBL102008 | 0.61 | — | — | |
| SCHEMBL5855725 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL465950 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3564240-A1 | PIPERIDINE INTERMEDIATES | Purdue Pharma L.P. (US) | 2019-11-06 | — | — | EP | disclosed |
| 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 |