⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3693292 | 1.00 | — | — | |
| SCHEMBL35970 | 1.00 | — | — | |
| Water SCHEMBL2401892 | 1.00 | CHRM2 (0.45) | — | |
| SCHEMBL11271315 | 0.98 | CHRM2 (0.44) | — | |
| Methyl Alcohol SCHEMBL20595722 | 0.94 | CHRM2 (0.46) | — | |
| SCHEMBL335003 | 0.80 | — | — | |
| SCHEMBL5323919 | 0.80 | — | — | |
| SCHEMBL7525930 | 0.80 | — | — | |
| SCHEMBL6046405 | 0.79 | — | — | |
| SCHEMBL11851422 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230190768-A1 | COMBINATION COMPRISING TRICYCLE COMPOUND AND USE THEREOF IN PREPARATION OF MEDICAMENT FOR TREATING HBV | FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) | 2023-06-22 | — | — | US | disclosed |