⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4970292 | 0.82 | — | — | |
| SCHEMBL807687 | 0.76 | GJB2 (0.31) | — | |
| SCHEMBL807689 | 0.76 | GJB2 (0.31) | — | |
| SCHEMBL17384629 | 0.74 | FFAR4 (0.31) | — | |
| SCHEMBL4970295 | 0.72 | GJB2 (0.31) | — | |
| SCHEMBL4970178 | 0.72 | GJB2 (0.31) | — | |
| SCHEMBL807412 | 0.72 | — | — | |
| SCHEMBL16631654 | 0.71 | — | — | |
| SCHEMBL16631779 | 0.69 | RARA (0.31) | — | |
| SCHEMBL18359802 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012037038-A1 | 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. (US) | 2012-03-22 | — | — | WO | disclosed |