⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29738 | 0.73 | — | — | |
| SCHEMBL1398274 | 0.71 | — | — | |
| SCHEMBL7132059 | 0.71 | — | — | |
| SCHEMBL27939070 | 0.69 | CRBN (0.60) | — | |
| SCHEMBL27524722 | 0.69 | CRBN (0.60) | — | |
| SCHEMBL27560286 | 0.69 | CRBN (0.60) | — | |
| SCHEMBL15045 | 0.69 | — | — | |
| SCHEMBL7675588 | 0.69 | MAPT (0.52) | — | |
| SCHEMBL9728297 | 0.69 | MAPT (0.52) | — | |
| SCHEMBL9728289 | 0.69 | MAPT (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1027640-C | Process for producing novel trifluoromethyl ketone substituted peptide derivatives | ICI AMERICA INC (US) | 1995-02-15 | — | — | CN | claimed |
| EP-0189305-B1 | PEPTIDE DERIVATIVES | ICI AMERICAS INC. (US) | 1992-07-29 | — | — | EP | disclosed |
| EP-0189305-A2 | Peptide derivatives | ICI AMERICAS INC. (US) | 1986-07-30 | — | — | EP | disclosed |