⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9580061 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL734342 | 0.71 | — | — | |
| SCHEMBL15640179 | 0.69 | — | — | |
| SCHEMBL9292281 | 0.69 | — | — | |
| SCHEMBL10965011 | 0.69 | — | — | |
| SCHEMBL8780340 | 0.69 | — | — | |
| SCHEMBL191568 | 0.63 | — | — | |
| SCHEMBL149210 | 0.63 | — | — | |
| SCHEMBL10348916 | 0.63 | — | — | |
| SCHEMBL9788379 | 0.62 | — | — |
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-1993024433-A1 | PROCESS PRODUCING A HYDROFLUOROCARBON HAVING AT LEAST ONE TRIFLUORO GROUP | ALLIED-SIGNAL INC. (US) | 1993-12-09 | — | — | WO | disclosed |