⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27515431 | 0.94 | GABRP (0.30) | — | |
| Benzene SCHEMBL27696759 | 0.94 | GABRP (0.30) | — | |
| SCHEMBL71779 | 0.94 | — | — | |
| SCHEMBL1018939 | 0.94 | — | — | |
| SCHEMBL9720250 | 0.94 | — | — | |
| SCHEMBL9646 | 0.94 | — | — | |
| Bicarbonate SCHEMBL7652336 | 0.92 | GABRA1 (0.40) | — | |
| Bicarbonate SCHEMBL9233256 | 0.92 | — | — | |
| Hydroxyamine SCHEMBL10954574 | 0.91 | — | — | |
| Charcoal, Activated SCHEMBL2280267 | 0.90 | — | — |
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-107964071-A | Aqueous dispersion polymers and its application | 清华大学 | 2018-04-27 | — | — | CN | disclosed |
| CN-107964070-A | Water-soluble polymer and its application | 清华大学 | 2018-04-27 | — | — | CN | disclosed |