⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2102336 | 0.82 | — | — | |
| SCHEMBL8992206 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL5968580 | 0.79 | — | — | |
| SCHEMBL216757 | 0.79 | — | — | |
| Water SCHEMBL27852585 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL8992283 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL571060 | 0.75 | — | — | |
| SCHEMBL571059 | 0.75 | — | — | |
| SCHEMBL571058 | 0.75 | — | — | |
| SCHEMBL2099723 | 0.75 | TSHR (0.32) | — |
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-114981349-B | Method for preparing modified filler, composition and article containing the modified filler | PPG工业俄亥俄公司 | 2024-07-26 | — | — | CN | disclosed |