⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14608960 | 0.69 | — | — | |
| SCHEMBL4890325 | 0.69 | — | — | |
| SCHEMBL13911839 | 0.65 | — | — | |
| SCHEMBL4277809 | 0.52 | — | — | |
| SCHEMBL77219 | 0.51 | — | — | |
| SCHEMBL21290178 | 0.48 | KDM4E (0.32) | — | |
| SCHEMBL12020221 | 0.44 | — | — | |
| SCHEMBL49955 | 0.43 | — | — | |
| Ligustrazine SCHEMBL77624 | 0.43 | LMNA (0.41) | — | |
| Ligustrazine SCHEMBL583535 | 0.40 | KDM4E (0.39) | — |
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-20130041000-A1 | NOVEL AZOLE COMPOUND | AJINOMOTO CO., INC. (JP) | 2013-02-14 | — | — | US | disclosed |