⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL416907 | 0.69 | — | — | |
| SCHEMBL16948576 | 0.65 | — | — | |
| SCHEMBL18663271 | 0.65 | — | — | |
| SCHEMBL5334854 | 0.65 | — | — | |
| SCHEMBL9479118 | 0.61 | — | — | |
| SCHEMBL5610414 | 0.60 | — | — | |
| SCHEMBL13845015 | 0.56 | — | — | |
| SCHEMBL2891510 | 0.55 | — | — | |
| SCHEMBL9865874 | 0.53 | — | — | |
| SCHEMBL1205854 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014102589-A1 | QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2014-07-03 | — | — | WO | disclosed |