⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22172148 | 0.80 | — | — | |
| SCHEMBL22172315 | 0.77 | — | — | |
| SCHEMBL22172184 | 0.74 | — | — | |
| SCHEMBL25122774 | 0.72 | — | — | |
| SCHEMBL23710880 | 0.72 | — | — | |
| SCHEMBL21469675 | 0.69 | — | — | |
| SCHEMBL14999451 | 0.64 | — | — | |
| SCHEMBL21547547 | 0.64 | — | — | |
| SCHEMBL25118193 | 0.63 | — | — | |
| SCHEMBL25118053 | 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 |
|---|---|---|---|---|---|---|---|
| US-9949976-B2 | Kinase inhibitor and use thereof | Xuanzhu Pharma Co., Ltd. (CN) | 2018-04-24 | — | — | US | disclosed |