⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8994456 | 0.79 | — | — | |
| SCHEMBL19523377 | 0.71 | TDP1 (0.36) | — | |
| SCHEMBL504033 | 0.71 | — | — | |
| SCHEMBL11109724 | 0.67 | TDP1 (0.33) | — | |
| SCHEMBL2103164 | 0.67 | — | — | |
| SCHEMBL16476650 | 0.67 | — | — | |
| SCHEMBL9282042 | 0.67 | — | — | |
| SCHEMBL3298704 | 0.67 | — | — | |
| SCHEMBL11499835 | 0.66 | — | — | |
| SCHEMBL1469789 | 0.66 | TDP1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105087704-B | Controllable multi-enzyme cascade reaction for synthesizing optical pure allylic epoxy ketone or alcohol | 中国科学院成都生物研究所 | 2020-02-21 | — | — | CN | disclosed |
| WO-2014014070-A1 | METHOD FOR MANUFACTURING LIGHT-EMITTING GLASS THIN FILM | 国立大学法人京都大学 (JP) | 2014-01-23 | — | — | WO | disclosed |
| US-20050100527-A1 | Compounds for delivering substances into cells | CHU YONG L (US) | 2005-05-12 | — | — | US | disclosed |
| WO-2003057164-A2 | COMPOUNDS FOR DELIVERING SUBSTANCES INTO CELLS | VAXIM, INC. (US) | 2003-07-17 | — | — | WO | disclosed |
| US-20030134423-A1 | Compounds for delivering substances into cells | VAXIM, INC. | 2003-07-17 | — | — | US | disclosed |
| CN-1036007-Y | Pyrrole and imidazole and imidazole compound and pyridine base substituted by 1 hour benzimidazole derivatives | Janssen medicine industry co ltd | 1997-10-01 | — | — | CN | disclosed |