⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2975726 | 0.93 | — | — | |
| SCHEMBL9547230 | 0.82 | — | — | |
| SCHEMBL23666153 | 0.76 | — | — | |
| SCHEMBL2754245 | 0.73 | — | — | |
| SCHEMBL12224195 | 0.71 | — | — | |
| SCHEMBL4028303 | 0.71 | — | — | |
| SCHEMBL23143621 | 0.71 | — | — | |
| SCHEMBL4436291 | 0.71 | — | — | |
| SCHEMBL6656197 | 0.71 | MEN1 (0.41) | — | |
| SCHEMBL2111705 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3294726-A1 | INDAZOLONES AS MODULATORS OF TNF SIGNALING | AbbVie Inc. (US) | 2018-03-21 | — | — | EP | disclosed |
| WO-2016168633-A1 | INDAZOLONES AS MODULATORS OF TNF SIGNALING | ABBVIE INC. (US) | 2016-10-20 | — | — | WO | disclosed |
| US-7572814-B2 | 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds | CYTOKINETICS, INCORPORATED (US) | 2009-08-11 | — | — | US | disclosed |
| US-20070161674-A1 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. | 2007-07-12 | — | — | US | disclosed |