⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3429894 | 0.79 | — | — | |
| SCHEMBL8035040 | 0.75 | KMT2A (0.37) | — | |
| SCHEMBL7363447 | 0.71 | — | — | |
| SCHEMBL643272 | 0.71 | — | — | |
| SCHEMBL7248025 | 0.71 | NFKB1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL6098929 | 0.70 | — | — | |
| SCHEMBL4443315 | 0.69 | — | — | |
| SCHEMBL3181606 | 0.69 | MEN1 (0.31) | — | |
| SCHEMBL16058283 | 0.67 | — | — | |
| SCHEMBL23421623 | 0.66 | MAPT (0.32) | — |
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-110547990-A | Aloe skin care solution | GUIZHOU ACAD OF TESTING AND ANALYSIS | 2019-12-10 | — | — | CN | claimed |
| CN-110547990-A | Aloe skin care solution | GUIZHOU ACAD OF TESTING AND ANALYSIS | 2019-12-10 | — | — | CN | disclosed |