⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14655616 | 0.84 | — | — | |
| Acetic Acid SCHEMBL869818 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL919660 | 0.71 | — | — | |
| SCHEMBL27338368 | 0.71 | — | — | |
| SCHEMBL2722360 | 0.71 | — | — | |
| SCHEMBL27338341 | 0.67 | — | — | |
| SCHEMBL1054243 | 0.66 | — | — | |
| SCHEMBL9239265 | 0.63 | — | — | |
| SCHEMBL6412010 | 0.63 | — | — | |
| SCHEMBL1018738 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0595424-B1 | Composition and procedure for the preparation of organic glasses | GREAT LAKES CHEMICAL ITALIA (IT) | 1998-05-13 | — | — | EP | claimed |