⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10040942 | 1.00 | — | — | |
| SCHEMBL328714 | 1.00 | — | — | |
| SCHEMBL10062345 | 1.00 | — | — | |
| SCHEMBL12238862 | 1.00 | — | — | |
| SCHEMBL16784861 | 1.00 | — | — | |
| SCHEMBL6468464 | 1.00 | — | — | |
| SCHEMBL5570919 | 1.00 | — | — | |
| SCHEMBL4398057 | 1.00 | — | — | |
| SCHEMBL17814231 | 0.84 | — | — | |
| SCHEMBL20845805 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9316631-B1 | ER-stress inducing compounds and methods of use thereof | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH | 2016-04-19 | — | — | US | disclosed |
| US-8486950-B2 | Janus kinase inhibitor compounds and methods | F. HOFFMANN-LA ROCHE AG (CH) | 2013-07-16 | — | — | US | disclosed |
| US-20130048353-A1 | TRANSPARENT CONDUCTIVE FILM AND TOUCH PANEL USING THE SAME | SHIH HUA TECHNOLOGY LTD. (TW) | 2013-02-28 | — | — | US | disclosed |