⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8214932 | 0.84 | DRD2 (0.47) | — | |
| SCHEMBL7007529 | 0.84 | SLC6A3 (0.49) | — | |
| SCHEMBL322881 | 0.82 | DRD2 (0.48) | — | |
| SCHEMBL12609769 | 0.80 | — | — | |
| SCHEMBL12609765 | 0.80 | — | — | |
| SCHEMBL322953 | 0.78 | — | — | |
| SCHEMBL366065 | 0.78 | DRD2 (0.53) | — | |
| SCHEMBL322716 | 0.77 | DRD2 (0.47) | — | |
| SCHEMBL8911956 | 0.77 | DRD2 (0.51) | — | |
| SCHEMBL503067 | 0.76 | DRD2 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137518-A | As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition | 株式会社钟根堂 | 2018-06-08 | — | — | CN | disclosed |
| CN-102341108-B | PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH ZINC BINDING MOIETY | CURIS INC | 2015-05-27 | — | — | CN | disclosed |
| CN-102970868-A | Treatment of cancers having K-RAS mutations | CURIS INC | 2013-03-13 | — | — | CN | disclosed |
| CN-102341108-A | PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH ZINC BINDING MOIETY | CURIS INC | 2012-02-01 | — | — | CN | disclosed |