⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6982991 | 0.82 | CYP2D6 (0.34) | — | |
| SCHEMBL339167 | 0.82 | CYP2D6 (0.34) | — | |
| SCHEMBL14724964 | 0.82 | CYP2D6 (0.34) | — | |
| SCHEMBL10147753 | 0.76 | MAPT (0.34) | — | |
| SCHEMBL6973355 | 0.76 | CYP2D6 (0.33) | — | |
| SCHEMBL6972448 | 0.73 | — | — | |
| SCHEMBL12112084 | 0.73 | — | — | |
| SCHEMBL28813457 | 0.69 | CYP2D6 (0.33) | — | |
| SCHEMBL13766891 | 0.68 | ABCB1 (0.33) | — | |
| SCHEMBL5312739 | 0.68 | CYP2D6 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120121541-A1 | 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF | ANADYS PHARMACEUTICALS, INC. (US) | 2012-05-17 | — | — | US | disclosed |