⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34509 | 0.71 | — | — | |
| Ethylene SCHEMBL28036632 | 0.68 | — | — | |
| Water SCHEMBL3259208 | 0.68 | — | — | |
| SCHEMBL28434975 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL36651 | 0.67 | — | — | |
| SCHEMBL27767541 | 0.65 | CDC25A (0.34) | — | |
| SCHEMBL64718 | 0.65 | CDC25A (0.34) | — | |
| SCHEMBL600088 | 0.65 | — | — | |
| SCHEMBL1145309 | 0.65 | — | — | |
| Ethylene Glycol SCHEMBL21571470 | 0.65 | TSHR (0.40) | — |
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-107849329-B | Composition, coating film, fluorine-containing coating film, and laminate | 大金工业株式会社 | 2021-11-09 | — | — | CN | disclosed |