⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27989275 | 0.72 | — | — | |
| SCHEMBL6584226 | 0.69 | — | — | |
| SCHEMBL232502 | 0.69 | — | — | |
| SCHEMBL3924748 | 0.67 | CA2 (0.43) | — | |
| SCHEMBL18161393 | 0.67 | — | — | |
| SCHEMBL18663420 | 0.67 | CA2 (0.43) | — | |
| SCHEMBL19775398 | 0.67 | — | — | |
| SCHEMBL942262 | 0.67 | — | — | |
| SCHEMBL7294012 | 0.67 | — | — | |
| SCHEMBL1286341 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160074373-A1 | METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS | THE UNIVERSITY OF CHICAGO (US) | 2016-03-17 | — | — | US | disclosed |
| US-20040006118-A1 | Nf-kb inhibitors | SMITHKLINE BEECHAM CORPORATION | 2004-01-08 | — | — | US | disclosed |
| EP-1328272-A1 | NF-KAPPA-B INHIBITORS | SmithKline Beecham Corporation (US) | 2003-07-23 | — | — | EP | disclosed |
| WO-2002030423-A1 | NF-λB INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-04-18 | — | — | WO | disclosed |
| US-4154610-A | Photographic method and film unit | FUJI PHOTO FILM CO., LTD. (JP) | 1979-05-15 | — | — | US | disclosed |