⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL896075 | 0.82 | CHRM3 (0.39) | — | |
| SCHEMBL26771874 | 0.78 | F2 (0.30) | — | |
| SCHEMBL17681915 | 0.75 | HDAC2 (0.33) | — | |
| SCHEMBL13947265 | 0.74 | TP53 (0.35) | — | |
| SCHEMBL4467924 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL903415 | 0.73 | — | — | |
| SCHEMBL19113541 | 0.72 | — | — | |
| SCHEMBL11418876 | 0.72 | CHRM3 (0.37) | — | |
| SCHEMBL11418880 | 0.72 | CHRM3 (0.37) | — | |
| SCHEMBL7904183 | 0.71 | ALDH1A1 (0.44) | — |
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-2594569-B1 | ENTECAVIR SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF | ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) | 2019-03-20 | — | — | EP | disclosed |