⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12453964 | 0.92 | — | — | |
| SCHEMBL14052074 | 0.91 | KDM4E (0.30) | — | |
| SCHEMBL13667909 | 0.84 | — | — | |
| SCHEMBL16519881 | 0.82 | — | — | |
| SCHEMBL12453973 | 0.82 | — | — | |
| SCHEMBL14684661 | 0.80 | — | — | |
| SCHEMBL14684679 | 0.80 | — | — | |
| SCHEMBL13667495 | 0.78 | — | — | |
| SCHEMBL13532542 | 0.75 | — | — | |
| SCHEMBL13667815 | 0.73 | — | — |
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-2009132135-A1 | 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. (US) | 2009-10-29 | — | — | WO | disclosed |