⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22203746 | 0.81 | — | — | |
| SCHEMBL127131 | 0.72 | — | — | |
| SCHEMBL14771417 | 0.72 | BACE1 (0.31) | — | |
| SCHEMBL22792583 | 0.67 | — | — | |
| SCHEMBL13439924 | 0.67 | — | — | |
| SCHEMBL12964318 | 0.67 | — | — | |
| SCHEMBL8190666 | 0.67 | — | — | |
| SCHEMBL14133480 | 0.67 | — | — | |
| SCHEMBL95816 | 0.67 | — | — | |
| SCHEMBL125608 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3312175-B1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | KOREA RES INST CHEMICAL TECH (KR) | 2020-07-22 | — | — | EP | disclosed |
| EP-3312175-A1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | Korea Research Institute of Chemical Technology (KR) | 2018-04-25 | — | — | EP | disclosed |
| US-20180105527-A1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2018-04-19 | — | — | US | disclosed |
| US-20090029992-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MIIKANA THERAPEUTICS, INC. | 2009-01-29 | — | — | US | disclosed |