⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3711800 | 0.98 | — | — | |
| SCHEMBL13188925 | 0.81 | HDAC4 (0.30) | — | |
| SCHEMBL3714141 | 0.80 | — | — | |
| SCHEMBL3710355 | 0.80 | — | — | |
| SCHEMBL3710337 | 0.80 | — | — | |
| SCHEMBL2831415 | 0.79 | AOC3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL3707079 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL3712851 | 0.78 | AOC3 (0.35) | — | |
| SCHEMBL13188637 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL3715329 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |