⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14685237 | 1.00 | KDM4E (0.39) | — | |
| SCHEMBL615001 | 1.00 | KDM4E (0.39) | — | |
| SCHEMBL2495557 | 1.00 | — | — | |
| SCHEMBL14669163 | 1.00 | — | — | |
| SCHEMBL13444708 | 1.00 | KDM4E (0.39) | — | |
| SCHEMBL24843176 | 1.00 | KDM4E (0.39) | — | |
| SCHEMBL16360071 | 1.00 | KDM4E (0.39) | — | |
| SCHEMBL14424191 | 1.00 | KDM4E (0.39) | — | |
| SCHEMBL15498544 | 1.00 | KDM4E (0.39) | — | |
| SCHEMBL22300612 | 0.91 | KDM4E (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120116064-A1 | HYBRID LIPID COMPOUNDS BASED ON PENTAERYTHRITOL, INTERMEDIATES, PREPARATION METHODS AND USE THEREOF | HARBIN INSTITUTE OF TECHNOLOGY (CN) | 2012-05-10 | — | — | US | disclosed |
| WO-2009023201-A1 | RIGID DERIVATIVES OF TRIPTOLIDE AS ANTICANCER, IMMUNE SUPPRESSANT, ANTI-FIBROSIS, AND CNS PROTECTANT AGENTS | MYELORX LLC (US) | 2009-02-19 | — | — | WO | disclosed |