⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1864579 | 0.71 | — | — | |
| SCHEMBL8986165 | 0.71 | — | — | |
| SCHEMBL27555789 | 0.69 | — | — | |
| SCHEMBL2315977 | 0.69 | — | — | |
| SCHEMBL6153763 | 0.67 | — | — | |
| SCHEMBL8150544 | 0.67 | — | — | |
| SCHEMBL3374550 | 0.66 | TDP1 (0.41) | — | |
| SCHEMBL215024 | 0.63 | — | — | |
| SCHEMBL4105321 | 0.62 | — | — | |
| SCHEMBL2799985 | 0.60 | — | — |
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-104995236-A | Lignin-based coating compositions | AKZO NOBEL COATINGS INT BV | 2015-10-21 | — | — | CN | claimed |
| CN-104995236-A | Lignin-based coating compositions | AKZO NOBEL COATINGS INT BV | 2015-10-21 | — | — | CN | disclosed |