⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14674854 | 0.80 | — | — | |
| SCHEMBL7129933 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL1377271 | 0.71 | BRD4 (0.33) | — | |
| SCHEMBL21715145 | 0.69 | LMNA (0.45) | — | |
| SCHEMBL1424151 | 0.68 | — | — | |
| SCHEMBL14675866 | 0.66 | POLB (0.31) | — | |
| SCHEMBL1637707 | 0.62 | ACHE (0.32) | — | |
| SCHEMBL1637863 | 0.60 | ACHE (0.39) | — | |
| SCHEMBL9164749 | 0.59 | LMNA (0.36) | — | |
| SCHEMBL1374507 | 0.59 | ALDH1A1 (0.39) | — |
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-103919630-B | Bionic artificial crystal | 九扬贸易有限公司 | 2016-12-28 | — | — | CN | disclosed |