⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28835013 | 0.60 | — | — | |
| SCHEMBL31516382 | 0.57 | — | — | |
| SCHEMBL9064956 | 0.53 | — | — | |
| SCHEMBL28305401 | 0.50 | — | — | |
| SCHEMBL2381676 | 0.47 | — | — | |
| SCHEMBL19760059 | 0.46 | CRBN (0.38) | — | |
| SCHEMBL279754 | 0.46 | — | — | |
| SCHEMBL23497399 | 0.45 | — | — | |
| SCHEMBL8005685 | 0.45 | — | — | |
| SCHEMBL1035336 | 0.44 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107690433-B | Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating PI3 kinase-associated diseases comprising the same as active ingredient | 韩国化学研究院 | 2021-04-09 | — | — | CN | disclosed |