⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4392101 | 0.91 | — | — | |
| SCHEMBL4386955 | 0.82 | HDAC1 (0.38) | — | |
| SCHEMBL4379090 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL5491759 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL4379025 | 0.81 | TDP1 (0.32) | — | |
| SCHEMBL4382503 | 0.80 | MTNR1A (0.37) | — | |
| SCHEMBL4387310 | 0.78 | PPARG (0.35) | — | |
| SCHEMBL4396532 | 0.77 | MIF (0.32) | — | |
| SCHEMBL4383946 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL4386272 | 0.76 | MAPT (0.33) | — |
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 |