⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7297647 | 0.80 | — | — | |
| SCHEMBL1299354 | 0.80 | KCNK3 (0.39) | — | |
| SCHEMBL2560949 | 0.80 | HTT (0.34) | — | |
| SCHEMBL2552232 | 0.77 | OPRD1 (0.36) | — | |
| SCHEMBL1299495 | 0.76 | OPRK1 (0.35) | — | |
| SCHEMBL29950862 | 0.76 | CHRNB2 (0.31) | — | |
| SCHEMBL15332389 | 0.76 | GBA1 (0.39) | — | |
| SCHEMBL15383931 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL2557029 | 0.74 | L3MBTL1 (0.47) | — | |
| SCHEMBL1299491 | 0.73 | LMNA (0.35) | — |
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-106188043-A | Tetracyclic compound | 梅迪维新技术公司 | 2016-12-07 | — | — | CN | disclosed |