⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24899219 | 0.76 | CETP (0.40) | — | |
| SCHEMBL22681217 | 0.76 | CETP (0.40) | — | |
| SCHEMBL19901550 | 0.76 | CETP (0.40) | — | |
| SCHEMBL765946 | 0.75 | — | — | |
| SCHEMBL7312976 | 0.75 | — | — | |
| SCHEMBL469203 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7065801 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8041158 | 0.71 | TSHR (0.48) | — | |
| SCHEMBL6230212 | 0.67 | CETP (0.56) | — | |
| SCHEMBL459896 | 0.67 | CETP (0.56) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4352764-A | — | — | None | — | — | JP | disclosed |
| JP-H04352764-A | TRIFLUOROMETHYL GROUP-CONTAINING THIOETHER COMPOUND AND PRODUCTION THEREOF | NIKKO KYODO CO LTD | 1992-12-07 | — | — | JP | disclosed |