⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51524 | 0.84 | — | — | |
| SCHEMBL11302333 | 0.75 | — | — | |
| SCHEMBL21972150 | 0.69 | — | — | |
| SCHEMBL51032 | 0.69 | — | — | |
| SCHEMBL21116318 | 0.65 | FUCA1 (0.38) | — | |
| SCHEMBL51412 | 0.65 | — | — | |
| SCHEMBL10045682 | 0.65 | — | — | |
| SCHEMBL23240075 | 0.65 | — | — | |
| SCHEMBL7155410 | 0.64 | — | — | |
| SCHEMBL20487611 | 0.63 | — | — |
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 1 patent. 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 |