⚠ 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 | |
|---|---|---|---|---|
| Furan SCHEMBL27876455 | 0.86 | — | — | |
| Furan SCHEMBL136433 | 0.81 | — | — | |
| Furan SCHEMBL8206829 | 0.79 | — | — | |
| Furan SCHEMBL29498751 | 0.79 | MAPK1 (0.57) | — | |
| Furan SCHEMBL27443620 | 0.79 | — | — | |
| Furan SCHEMBL27364502 | 0.79 | — | — | |
| Furan SCHEMBL29232687 | 0.79 | MAPK1 (0.57) | — | |
| Furan SCHEMBL27695156 | 0.79 | — | — | |
| Furan SCHEMBL28985317 | 0.76 | — | — | |
| Furan SCHEMBL28985242 | 0.76 | — | — |
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-110016010-A | A kind of preparation method of novel thiophenecarboxaldehyde class compound | 兰州大学 | 2019-07-16 | — | — | CN | disclosed |
| CN-104310795-B | Preparation method of antibacterial coating on surface of base material | 北京师范大学 | 2016-11-02 | — | — | CN | disclosed |