⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3050218 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL6336840 | 0.81 | — | — | |
| SCHEMBL3059812 | 0.78 | HTR1A (0.41) | — | |
| SCHEMBL3044393 | 0.74 | NR1H4 (0.39) | — | |
| SCHEMBL3060172 | 0.73 | L3MBTL1 (0.37) | — | |
| SCHEMBL3048681 | 0.73 | HDAC6 (0.40) | — | |
| SCHEMBL6806997 | 0.71 | GSK3B (0.46) | — | |
| SCHEMBL6799178 | 0.71 | GSK3B (0.42) | — | |
| SCHEMBL15166829 | 0.70 | LIPG (0.41) | — | |
| SCHEMBL6801058 | 0.70 | GSK3B (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100261710-A1 | HDAC Inhibitors | ARQULE, INC. (US) | 2010-10-14 | — | — | US | disclosed |
| EP-2190845-A2 | HDAC INHIBITORS | ArQule, Inc. (US) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009026446-A9 | HDAC INHIBITORS | ARQULE, INC. (US) | 2010-03-11 | — | — | WO | disclosed |
| WO-2009026446-A2 | HDAC INHIBITORS | ARQULE, INC. (US) | 2009-02-26 | — | — | WO | disclosed |