⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL8855530 | 0.87 | — | — | |
| SCHEMBL10873708 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL379310 | 0.76 | — | — | |
| Sulfamide SCHEMBL12465683 | 0.76 | — | — | |
| Sulfuric Acid SCHEMBL3902876 | 0.76 | CA5A (0.60) | — | |
| Sulfuric Acid SCHEMBL145458 | 0.76 | CA5A (0.60) | — | |
| SCHEMBL11293193 | 0.76 | — | — | |
| Urea SCHEMBL27464354 | 0.75 | — | — | |
| Urea SCHEMBL7756359 | 0.74 | LMNA (1.00) | — | |
| Urea SCHEMBL20641124 | 0.74 | LMNA (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105481850-A | Tetrahydroberberine derivative and application thereof | CHENGDU BASS KERRY BIOLOGICAL TECH CO LTD | 2016-04-13 | — | — | CN | disclosed |