⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22445024 | 0.85 | TSHR (0.38) | — | |
| SCHEMBL11203071 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL100176 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL201237 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL200754 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL25171019 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL102975 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL25173992 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL25177168 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL10582094 | 0.77 | TSHR (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-107075435-B | Continuous flow size-based separation of down to nanoscale entities using nanopillar arrays | 国际商业机器公司 | 2020-06-12 | — | — | CN | disclosed |