⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27655771 | 0.84 | TRPM8 (0.33) | — | |
| SCHEMBL2860072 | 0.75 | NPC1 (0.39) | — | |
| SCHEMBL4392541 | 0.74 | MLNR (0.38) | — | |
| SCHEMBL2855398 | 0.74 | F2 (0.33) | — | |
| SCHEMBL2856108 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL2864982 | 0.73 | MLYCD (0.36) | — | |
| SCHEMBL2869149 | 0.71 | MLYCD (0.37) | — | |
| SCHEMBL2858220 | 0.71 | TLR9 (0.36) | — | |
| SCHEMBL4395202 | 0.71 | L3MBTL1 (0.42) | — | |
| SCHEMBL2865078 | 0.70 | HSD17B1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100567242-C | Hsp90 family protein blockers | KYOWA HAKKO KOGYO KK (JP) | 2009-12-09 | — | — | CN | disclosed |
| CN-1791568-A | Hsp90 family protein inhibitors | KYOWA HAKKO KOGYO KK (JP) | 2006-06-21 | — | — | CN | disclosed |