⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27711954 | 1.00 | — | — | |
| SCHEMBL7907883 | 0.86 | — | — | |
| SCHEMBL24653140 | 0.86 | CACNA2D1 (0.65) | — | |
| SCHEMBL45197 | 0.83 | — | — | |
| SCHEMBL619735 | 0.83 | SLC22A6 (0.47) | — | |
| SCHEMBL1100230 | 0.80 | SLC22A6 (0.45) | — | |
| SCHEMBL5165804 | 0.80 | SLC22A6 (0.45) | — | |
| SCHEMBL5080081 | 0.80 | SLC22A6 (0.45) | — | |
| SCHEMBL5144811 | 0.80 | SLC22A6 (0.45) | — | |
| SCHEMBL5905658 | 0.80 | SLC22A6 (0.45) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101878208-A | Quinoxaline-type-piperidine compounds that replaces and uses thereof | PURDUE PHARMA LP | 2010-11-03 | — | — | CN | disclosed |