⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27468564 | 0.97 | — | — | |
| SCHEMBL29969 | 0.97 | — | — | |
| SCHEMBL29733585 | 0.93 | — | — | |
| SCHEMBL1411362 | 0.93 | — | — | |
| SCHEMBL2121178 | 0.93 | — | — | |
| SCHEMBL740269 | 0.93 | — | — | |
| Calcium SCHEMBL30396509 | 0.93 | — | — | |
| SCHEMBL16915533 | 0.93 | — | — | |
| SCHEMBL740268 | 0.93 | — | — | |
| SCHEMBL6651204 | 0.93 | — | — |
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-104623170-A | Anti-haze lung-protecting buccal tablet | GOU CHUNHU | 2015-05-20 | — | — | CN | disclosed |
| CN-103181565-A | PM2.5-preventing capsule for clearing away lung toxicant and protecting lungs | GOU CHUNHU | 2013-07-03 | — | — | CN | disclosed |