⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL28507650 | 1.00 | CA1 (0.40) | — | |
| Ethylene SCHEMBL28500124 | 1.00 | CA1 (0.40) | — | |
| Ethylene SCHEMBL28363211 | 1.00 | CA1 (0.40) | — | |
| Ethylene SCHEMBL9158203 | 1.00 | — | — | |
| Bicarbonate SCHEMBL29048831 | 0.95 | CA1 (0.50) | — | |
| SCHEMBL815 | 0.88 | — | — | |
| SCHEMBL78716 | 0.88 | CA1 (0.50) | — | |
| SCHEMBL9181149 | 0.88 | — | — | |
| SCHEMBL1781916 | 0.88 | — | — | |
| SCHEMBL4001690 | 0.82 | — | — |
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-108722981-B | Method for quickly removing paraffin in dehydration box | 朱清 | 2021-02-05 | — | — | CN | disclosed |
| WO-2009100645-A1 | POLYCATIONIC GENE CARRIERS FORMED OF ENDOGENOUS AMINO GROUP-BEARING MONOMERS | JIN TUO (CN) | 2009-08-20 | — | — | WO | disclosed |