⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10727141 | 0.78 | — | — | |
| SCHEMBL29175064 | 0.75 | — | — | |
| SCHEMBL28448017 | 0.75 | — | — | |
| SCHEMBL28929072 | 0.73 | — | — | |
| SCHEMBL27412573 | 0.73 | — | — | |
| SCHEMBL27744445 | 0.71 | — | — | |
| SCHEMBL7019538 | 0.71 | — | — | |
| SCHEMBL28111624 | 0.71 | DGAT1 (0.32) | — | |
| SCHEMBL27052020 | 0.69 | — | — | |
| SCHEMBL28288719 | 0.69 | — | — |
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-104784062-A | Liquid composition | MILBON CO LTD | 2015-07-22 | — | — | CN | disclosed |