⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28167446 | 0.77 | MAOB (0.32) | — | |
| SCHEMBL28136076 | 0.70 | MAOB (0.37) | — | |
| SCHEMBL8742114 | 0.68 | MAOB (0.35) | — | |
| SCHEMBL28343173 | 0.67 | MAOB (0.34) | — | |
| SCHEMBL28618745 | 0.67 | MAOA (0.31) | — | |
| SCHEMBL28621570 | 0.65 | P2RX7 (0.35) | — | |
| SCHEMBL22577725 | 0.63 | HDAC4 (0.30) | — | |
| SCHEMBL28766223 | 0.62 | CYP3A4 (0.35) | — | |
| SCHEMBL28272815 | 0.61 | — | — | |
| SCHEMBL28163064 | 0.61 | — | — |
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-111521703-B | Method for identifying isopentenyl dihydrostilbene by liquid chromatography-mass spectrometry and structure and application of novel compound | 内蒙古大学 | 2022-06-17 | — | — | CN | disclosed |
| CN-111521703-A | Method for identifying isopentenyl dihydrostilbene by liquid chromatography-mass spectrometry and structure and application of novel compound | 内蒙古大学 | 2020-08-11 | — | — | CN | disclosed |