⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30689649 | 0.77 | — | — | |
| SCHEMBL27995119 | 0.72 | — | — | |
| SCHEMBL13438489 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL12948519 | 0.69 | — | — | |
| SCHEMBL9578076 | 0.69 | — | — | |
| SCHEMBL26596843 | 0.67 | — | — | |
| Ligustrazine SCHEMBL27509607 | 0.67 | LMNA (0.41) | — | |
| Ligustrazine SCHEMBL77624 | 0.67 | LMNA (0.41) | — | |
| SCHEMBL11273303 | 0.63 | — | — | |
| Ligustrazine SCHEMBL583011 | 0.63 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2012103813-A1 | DANSHENSU AND CHUANXIONGQIN DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF | JINAN UNIVERSITY (CN) | 2012-08-09 | — | — | WO | disclosed |