⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9865813 | 0.84 | CYP1A2 (0.41) | — | |
| SCHEMBL9866957 | 0.82 | L3MBTL1 (0.38) | — | |
| SCHEMBL1005007 | 0.81 | MAPT (0.40) | — | |
| SCHEMBL9699906 | 0.81 | MEN1 (0.39) | — | |
| SCHEMBL9699822 | 0.81 | MEN1 (0.39) | — | |
| SCHEMBL9698626 | 0.81 | MEN1 (0.39) | — | |
| SCHEMBL9698544 | 0.81 | MEN1 (0.39) | — | |
| SCHEMBL920344 | 0.78 | L3MBTL1 (0.36) | — | |
| SCHEMBL9698457 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL1003999 | 0.77 | L3MBTL1 (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 |
|---|---|---|---|---|---|---|---|
| CN-107624113-B | Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2020-10-23 | — | — | CN | disclosed |