⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18517029 | 1.00 | — | — | |
| SCHEMBL18478116 | 0.87 | CA1 (0.35) | — | |
| SCHEMBL16089585 | 0.80 | — | — | |
| SCHEMBL6902530 | 0.80 | — | — | |
| SCHEMBL1121762 | 0.78 | GBA1 (0.33) | — | |
| SCHEMBL6906913 | 0.76 | GLB1 (0.38) | — | |
| SCHEMBL6909060 | 0.76 | GLB1 (0.33) | — | |
| SCHEMBL17341777 | 0.74 | UGT2B7 (0.30) | — | |
| SCHEMBL11736490 | 0.74 | — | — | |
| SCHEMBL8019687 | 0.72 | CA1 (0.38) | — |
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-2488522-B1 | NOVEL METHOD FOR PREPARING ENTECAVIR AND INTERMEDIATE USED THEREIN | HANMI SCIENCE CO LTD (KR) | 2017-02-15 | — | — | EP | disclosed |