⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26413256 | 1.00 | — | — | |
| SCHEMBL16074731 | 0.87 | MAPK1 (0.39) | — | |
| Hexylene Glycol SCHEMBL335683 | 0.80 | — | — | |
| Hexylene Glycol SCHEMBL19379 | 0.80 | — | — | |
| Hexylene Glycol SCHEMBL6869929 | 0.80 | MAPK1 (0.39) | — | |
| Hexylene Glycol SCHEMBL123432 | 0.80 | — | — | |
| SCHEMBL23856094 | 0.79 | MAPK1 (0.35) | — | |
| Hexylene Glycol SCHEMBL6271981 | 0.78 | — | — | |
| Hexylene Glycol SCHEMBL28560190 | 0.78 | — | — | |
| Hexylene Glycol SCHEMBL11802241 | 0.78 | — | — |
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-113882188-B | Protection method of paper cultural relics containing transition metal | 复旦大学 | 2022-12-23 | — | — | CN | disclosed |