⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11559490 | 1.00 | ALDH1A1 (0.48) | — | |
| SCHEMBL4741470 | 0.88 | — | — | |
| SCHEMBL8133040 | 0.88 | — | — | |
| SCHEMBL8288442 | 0.87 | TDP1 (0.52) | — | |
| SCHEMBL4603153 | 0.86 | ATM (0.54) | — | |
| SCHEMBL159593 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL5807658 | 0.82 | L3MBTL1 (0.59) | — | |
| SCHEMBL18909220 | 0.82 | TSHR (0.49) | — | |
| SCHEMBL21940819 | 0.82 | HRH3 (0.45) | — | |
| SCHEMBL16219481 | 0.82 | HRH3 (0.37) | — |
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-115181213-A | Polymer for adsorbing metal ions and application thereof | 深圳市康益保健用品有限公司 | 2022-10-14 | — | — | CN | claimed |
| CN-115181213-A | Polymer for adsorbing metal ions and application thereof | 深圳市康益保健用品有限公司 | 2022-10-14 | — | — | CN | disclosed |