⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4545266 | 0.84 | KEAP1 (0.48) | — | |
| SCHEMBL13411696 | 0.82 | KEAP1 (0.44) | — | |
| SCHEMBL19172568 | 0.82 | KEAP1 (0.47) | — | |
| SCHEMBL15177647 | 0.80 | KEAP1 (0.41) | — | |
| SCHEMBL6283896 | 0.79 | — | — | |
| SCHEMBL11482658 | 0.79 | EPHX2 (0.47) | — | |
| SCHEMBL4545267 | 0.77 | — | — | |
| SCHEMBL6289605 | 0.76 | KEAP1 (0.40) | — | |
| SCHEMBL19171419 | 0.75 | EPHX1 (0.58) | — | |
| SCHEMBL4390993 | 0.75 | KDM4E (0.52) | — |
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-105254573-B | A kind of preparation method of Taltirelin and its intermediate | 重庆莱美隆宇药业有限公司 | 2018-01-23 | — | — | CN | disclosed |