⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16877367 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5766329 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL5766325 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL5766320 | 0.98 | — | — | |
| SCHEMBL2373072 | 0.88 | SLC6A2 (0.31) | — | |
| SCHEMBL18207613 | 0.88 | — | — | |
| SCHEMBL32690068 | 0.87 | MEN1 (0.30) | — | |
| SCHEMBL18235297 | 0.86 | CHRM2 (0.33) | — | |
| SCHEMBL16877976 | 0.86 | SLC6A1 (0.33) | — | |
| SCHEMBL9923676 | 0.86 | CHRM2 (0.33) | — |
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-3091008-A1 | KINASE INHIBITOR AND USE THEREOF | Xuanzhu Pharma Co., Ltd. (CN) | 2016-11-09 | — | — | EP | disclosed |