⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17066949 | 0.83 | — | — | |
| SCHEMBL20079122 | 0.81 | LMNA (0.39) | — | |
| SCHEMBL15730242 | 0.80 | — | — | |
| SCHEMBL17621581 | 0.77 | — | — | |
| SCHEMBL17066946 | 0.77 | LMNA (0.40) | — | |
| SCHEMBL17067017 | 0.74 | — | — | |
| SCHEMBL20079046 | 0.71 | LMNA (0.38) | — | |
| SCHEMBL17066894 | 0.71 | — | — | |
| SCHEMBL23793923 | 0.71 | — | — | |
| SCHEMBL20104932 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2729448-B1 | COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES INC (US) | 2015-09-09 | — | — | EP | disclosed |