⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL192453 | 0.74 | — | — | |
| SCHEMBL18668181 | 0.70 | — | — | |
| SCHEMBL15228923 | 0.70 | — | — | |
| SCHEMBL5604734 | 0.67 | — | — | |
| SCHEMBL15229265 | 0.67 | — | — | |
| SCHEMBL28256537 | 0.65 | — | — | |
| SCHEMBL82304 | 0.61 | — | — | |
| SCHEMBL8941078 | 0.60 | — | — | |
| SCHEMBL5800970 | 0.60 | — | — | |
| SCHEMBL5408467 | 0.60 | — | — |
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-105849098-A | Gsk-3 inhibitors | 百时美施贵宝公司 | 2016-08-10 | — | — | CN | disclosed |