⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6050609 | 0.83 | — | — | |
| Water SCHEMBL27833719 | 0.79 | — | — | |
| Bicarbonate SCHEMBL27832207 | 0.74 | — | — | |
| Benzene SCHEMBL28051917 | 0.72 | ALDH1A1 (0.30) | — | |
| Propene SCHEMBL27811382 | 0.72 | — | — | |
| SCHEMBL28193782 | 0.72 | — | — | |
| SCHEMBL28230246 | 0.70 | — | — | |
| SCHEMBL905486 | 0.70 | — | — | |
| Butadiene SCHEMBL28034587 | 0.70 | — | — | |
| Methoxymethane SCHEMBL27468483 | 0.69 | — | — |
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-110277562-A | A kind of fluorine-containing binder, membrane electrode and preparation method thereof | 鸿基创能科技(广州)有限公司 | 2019-09-24 | — | — | CN | disclosed |