⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5917521 | 0.76 | — | — | |
| SCHEMBL8904323 | 0.76 | SLC6A2 (0.30) | — | |
| SCHEMBL8894501 | 0.76 | AKR1B1 (0.35) | — | |
| SCHEMBL27457947 | 0.76 | — | — | |
| SCHEMBL12522742 | 0.74 | MAPT (0.32) | — | |
| SCHEMBL19415030 | 0.74 | DPP7 (0.34) | — | |
| SCHEMBL455166 | 0.73 | SLC6A2 (0.40) | — | |
| SCHEMBL10895288 | 0.73 | HSD17B10 (0.41) | — | |
| SCHEMBL10900189 | 0.73 | — | — | |
| SCHEMBL454027 | 0.73 | SLC6A2 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104662014-B | Pyrimidine pyrazolyl derivatives | 阿雷斯贸易股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-105899508-A | Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2016-08-24 | — | — | CN | disclosed |