⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27792260 | 0.98 | — | — | |
| Ammonia Solution, Strong SCHEMBL1965549 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL6570546 | 0.85 | — | — | |
| SCHEMBL16255540 | 0.83 | — | — | |
| SCHEMBL14392147 | 0.83 | — | — | |
| SCHEMBL58102 | 0.83 | — | — | |
| SCHEMBL2174997 | 0.83 | GABRR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL27370476 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28285868 | 0.80 | — | — | |
| SCHEMBL21603019 | 0.79 | CYP2D6 (0.48) | — |
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-110093330-A | Composition and method comprising lipolytic enzyme variants | 丹尼斯科美国公司 | 2019-08-06 | — | — | CN | disclosed |