⚠ 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 | |
|---|---|---|---|---|
| Oxygen SCHEMBL27468735 | 0.78 | — | — | |
| SCHEMBL27879484 | 0.78 | — | — | |
| SCHEMBL18458273 | 0.78 | — | — | |
| SCHEMBL22434925 | 0.78 | — | — | |
| SCHEMBL30808383 | 0.78 | — | — | |
| SCHEMBL29868053 | 0.78 | — | — | |
| SCHEMBL22993 | 0.78 | — | — | |
| SCHEMBL28184335 | 0.78 | — | — | |
| SCHEMBL5693118 | 0.75 | CA2 (0.33) | — | |
| Oxygen SCHEMBL28462293 | 0.74 | — | — |
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-105481850-A | Tetrahydroberberine derivative and application thereof | CHENGDU BASS KERRY BIOLOGICAL TECH CO LTD | 2016-04-13 | — | — | CN | disclosed |
| CN-105418601-A | Tetrahydrocoptisine derivative and applications thereof | CHENGDU BEISI KAIRUI BIOLOGICAL TECH CO LTD | 2016-03-23 | — | — | CN | disclosed |