⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2802029 | 0.67 | — | — | |
| SCHEMBL2187366 | 0.67 | — | — | |
| SCHEMBL2279469 | 0.67 | — | — | |
| SCHEMBL1681777 | 0.67 | — | — | |
| SCHEMBL3942553 | 0.64 | — | — | |
| SCHEMBL15114437 | 0.64 | — | — | |
| SCHEMBL137626 | 0.64 | — | — | |
| SCHEMBL1431301 | 0.64 | — | — | |
| Water SCHEMBL27724997 | 0.64 | — | — | |
| Water SCHEMBL27745803 | 0.64 | — | — |
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-4758623-A | Trifluoroacetylation of unhindered primary and secondary amines and polymer-bound trifluoroacetylation reagents | SCHERING CORPORATION (US) | 1988-07-19 | — | — | US | disclosed |