⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1724145 | 0.80 | — | — | |
| SCHEMBL2892629 | 0.72 | — | — | |
| SCHEMBL2319318 | 0.67 | — | — | |
| SCHEMBL17555177 | 0.60 | — | — | |
| SCHEMBL9067340 | 0.58 | — | — | |
| SCHEMBL23152023 | 0.56 | — | — | |
| SCHEMBL5046288 | 0.55 | — | — | |
| SCHEMBL17479799 | 0.55 | — | — | |
| SCHEMBL27878 | 0.55 | — | — | |
| SCHEMBL5157604 | 0.53 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220409648-A1 | NEUROLYTIC AGENTS AND METHODS OF USING AND IDENTIFYING SAME | WASHINGTON UNIVERSITY | 2022-12-29 | — | — | US | disclosed |
| EP-2654751-B1 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA LP (US) | 2016-11-23 | — | — | EP | disclosed |
| EP-1618098-B1 | 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE | PTC THERAPEUTICS INC (US) | 2014-11-19 | — | — | EP | disclosed |
| US-8030310-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA, L.P. (US) | 2011-10-04 | — | — | US | disclosed |