⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31023413 | 0.77 | — | — | |
| SCHEMBL29154864 | 0.77 | — | — | |
| SCHEMBL11214847 | 0.77 | — | — | |
| SCHEMBL515099 | 0.77 | — | — | |
| SCHEMBL11911710 | 0.72 | — | — | |
| SCHEMBL14110690 | 0.71 | — | — | |
| SCHEMBL19702986 | 0.70 | — | — | |
| SCHEMBL11911718 | 0.70 | — | — | |
| SCHEMBL1984972 | 0.70 | — | — | |
| SCHEMBL11911714 | 0.70 | — | — |
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-112745713-A | Anti-freezing ink composition and using method thereof | 厦门德瑞雅喷码科技有限公司 | 2021-05-04 | — | — | CN | disclosed |