⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24925063 | 0.88 | — | — | |
| SCHEMBL24925065 | 0.86 | TSHR (0.36) | — | |
| SCHEMBL24924894 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL13482681 | 0.79 | — | — | |
| SCHEMBL24925061 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL8335275 | 0.77 | — | — | |
| SCHEMBL31737119 | 0.77 | HTT (0.42) | — | |
| SCHEMBL13351664 | 0.73 | CYP3A4 (0.33) | — | |
| SCHEMBL24924898 | 0.73 | SERPINE1 (0.31) | — | |
| SCHEMBL112173 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2023007465-A1 | FLUORINATED ETHERS, THERMAL MANAGEMENT FLUIDS, AND METHODS AND APPARATUSES USING THEM | CASTROL LIMITED (GB) | 2023-02-02 | — | — | WO | disclosed |