⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4382047 | 0.89 | MEN1 (0.33) | — | |
| SCHEMBL2864980 | 0.81 | — | — | |
| SCHEMBL4384782 | 0.81 | — | — | |
| SCHEMBL4394386 | 0.77 | MAPT (0.33) | — | |
| SCHEMBL4383640 | 0.77 | HSP90AB1 (0.34) | — | |
| SCHEMBL2864914 | 0.76 | EGFR (0.37) | — | |
| SCHEMBL4378306 | 0.74 | — | — | |
| SCHEMBL2867402 | 0.72 | EGFR (0.39) | — | |
| SCHEMBL2859896 | 0.72 | EGFR (0.39) | — | |
| SCHEMBL4381067 | 0.72 | PLAU (0.31) | — |
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-7538241-B2 | Hsp90 family protein inhibitors | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2009-05-26 | — | — | US | disclosed |
| US-20070155813-A1 | Hsp90 family protein inhibitors | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2007-07-05 | — | — | US | disclosed |
| EP-1704856-A1 | HSP90 FAMILY PROTEIN INHIBITOR | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2006-09-27 | — | — | EP | disclosed |