⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12398800 | 1.00 | — | — | |
| SCHEMBL15085720 | 1.00 | — | — | |
| SCHEMBL12371414 | 0.91 | — | — | |
| SCHEMBL15085721 | 0.77 | ALOX15 (0.30) | — | |
| SCHEMBL15085722 | 0.77 | ALOX15 (0.30) | — | |
| SCHEMBL12371358 | 0.75 | — | — | |
| SCHEMBL11127411 | 0.68 | — | — | |
| SCHEMBL18257137 | 0.68 | — | — | |
| SCHEMBL10816112 | 0.67 | — | — | |
| SCHEMBL11105506 | 0.67 | — | — |
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-2011102806-A1 | PROCESS FOR PREPARING ENTECAVIR AND ITS INTERMEDIATES | SCINOPHARM TAIWAN LTD (TW) | 2011-08-25 | — | — | WO | disclosed |