⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27884762 | 0.98 | TSHR (0.44) | — | |
| SCHEMBL8018060 | 0.81 | — | — | |
| SCHEMBL11228121 | 0.79 | — | — | |
| SCHEMBL246672 | 0.79 | TSHR (0.44) | — | |
| SCHEMBL28155933 | 0.77 | TSHR (0.42) | — | |
| Hydrochloric Acid SCHEMBL23116685 | 0.77 | TSHR (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL7765025 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL28195800 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL1399511 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL11781921 | 0.74 | TSHR (0.55) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106459032-B | Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-106459032-A | Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2017-02-22 | — | — | CN | disclosed |
| WO-2010053757-A1 | 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL | GILEAD PALO ALTO, INC. (US) | 2010-05-14 | — | — | WO | disclosed |
| CN-1860117-A | Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators | JANSSEN PHARMACEUTICA NV (BE) | 2006-11-08 | — | — | CN | disclosed |