⚠ 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL27756693 | 0.68 | FFAR3 (0.35) | — | |
| SCHEMBL24113203 | 0.65 | — | — | |
| SCHEMBL24862530 | 0.65 | — | — | |
| SCHEMBL21241474 | 0.64 | — | — | |
| SCHEMBL14516064 | 0.64 | — | — | |
| SCHEMBL11802157 | 0.63 | — | — | |
| SCHEMBL11802162 | 0.63 | — | — | |
| SCHEMBL1673406 | 0.63 | — | — | |
| SCHEMBL25065816 | 0.62 | — | — | |
| SCHEMBL22756781 | 0.62 | — | — |
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-3778569-A1 | N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2021-02-17 | — | — | EP | disclosed |