⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19594155 | 0.79 | — | — | |
| SCHEMBL15713143 | 0.71 | — | — | |
| SCHEMBL13845856 | 0.69 | — | — | |
| SCHEMBL23544663 | 0.67 | — | — | |
| SCHEMBL14275427 | 0.67 | — | — | |
| SCHEMBL8864761 | 0.64 | — | — | |
| SCHEMBL22726497 | 0.63 | — | — | |
| SCHEMBL24309855 | 0.63 | — | — | |
| SCHEMBL1106844 | 0.63 | — | — | |
| SCHEMBL4309870 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9675697-B2 | BET bromodomain inhibitors and therapeutic methods using the same | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-06-13 | — | — | US | disclosed |