⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31078195 | 0.97 | — | — | |
| SCHEMBL18232963 | 0.69 | IMPDH2 (0.34) | — | |
| SCHEMBL5776770 | 0.63 | PKM (0.58) | — | |
| SCHEMBL31213581 | 0.62 | CYP3A4 (0.37) | — | |
| SCHEMBL682505 | 0.59 | — | — | |
| SCHEMBL8709145 | 0.59 | — | — | |
| SCHEMBL47206 | 0.59 | — | — | |
| SCHEMBL2566008 | 0.58 | — | — | |
| SCHEMBL448147 | 0.57 | — | — | |
| SCHEMBL2008205 | 0.57 | — | — |
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-118359482-A | Method for synthesizing alpha-trifluoromethyl tertiary alcohol compound | 新乡市润宇新材料科技有限公司 | 2024-07-19 | — | — | CN | disclosed |