⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8635067 | 0.78 | — | — | |
| SCHEMBL302963 | 0.73 | — | — | |
| SCHEMBL2327990 | 0.72 | — | — | |
| SCHEMBL28619960 | 0.71 | — | — | |
| SCHEMBL28518865 | 0.67 | — | — | |
| SCHEMBL28492694 | 0.67 | — | — | |
| SCHEMBL233482 | 0.67 | — | — | |
| SCHEMBL22118759 | 0.67 | — | — | |
| SCHEMBL862150 | 0.67 | — | — | |
| SCHEMBL17867621 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5728902-A | REACTION OF 2-TRIFLUOROMETHYL-3,3,3-TRIFLUOROPROPIONIC ACID IN PRESENCE OF METAL CARBONATE/BICARBONATE AND DESICCATING AGENT | DAIKIN INDUSTRIES LTD. (JP) | 1998-03-17 | — | — | US | disclosed |