⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7221897 | 0.78 | — | — | |
| SCHEMBL31276128 | 0.72 | — | — | |
| SCHEMBL10099731 | 0.71 | — | — | |
| SCHEMBL8968993 | 0.70 | — | — | |
| SCHEMBL16079592 | 0.70 | — | — | |
| SCHEMBL14846441 | 0.67 | — | — | |
| SCHEMBL12656516 | 0.67 | — | — | |
| SCHEMBL19052298 | 0.67 | — | — | |
| SCHEMBL18726715 | 0.65 | — | — | |
| SCHEMBL8240556 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015074138-A1 | PROTEIN KINASE INHIBITORS | PHARMASCIENCE INC. (CA) | 2015-05-28 | — | — | WO | disclosed |