⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17499009 | 0.79 | GLO1 (0.30) | — | |
| SCHEMBL3596256 | 0.79 | GLO1 (0.30) | — | |
| SCHEMBL1486752 | 0.76 | — | — | |
| SCHEMBL28556598 | 0.75 | GLO1 (0.34) | — | |
| SCHEMBL11032462 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL19639425 | 0.74 | GLO1 (0.47) | — | |
| SCHEMBL27927880 | 0.73 | MGAM (0.35) | — | |
| SCHEMBL27554528 | 0.73 | CYP2D6 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL28948772 | 0.72 | GLO1 (0.45) | — | |
| SCHEMBL27843575 | 0.70 | GRIK1 (0.31) | — |
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-113164789-A | Composition comprising an encapsulate | 宝洁公司 | 2021-07-23 | — | — | CN | claimed |
| CN-113164789-A | Composition comprising an encapsulate | 宝洁公司 | 2021-07-23 | — | — | CN | disclosed |