⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8198866 | 0.97 | CYP4F2 (0.42) | — | |
| SCHEMBL8526781 | 0.97 | CYP4F2 (0.42) | — | |
| SCHEMBL5340873 | 0.97 | — | — | |
| SCHEMBL15022751 | 0.82 | — | — | |
| SCHEMBL9626175 | 0.81 | CES2 (0.33) | — | |
| SCHEMBL7858153 | 0.79 | — | — | |
| SCHEMBL12598766 | 0.78 | CYP4F2 (0.36) | — | |
| SCHEMBL698236 | 0.78 | — | — | |
| SCHEMBL23677751 | 0.77 | — | — | |
| SCHEMBL21104606 | 0.76 | FFAR1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103772231-B | Compounds, its synthetic method and therepic use | GILEAD SCIENCES INC. (US) | 2016-02-03 | — | — | CN | disclosed |