⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2011306 | 0.87 | — | — | |
| Chloromethane SCHEMBL27597971 | 0.84 | TP53 (0.30) | — | |
| SCHEMBL3974885 | 0.79 | KMT2A (0.30) | — | |
| SCHEMBL35436 | 0.79 | — | — | |
| SCHEMBL17720551 | 0.76 | CA1 (0.30) | — | |
| SCHEMBL346640 | 0.76 | — | — | |
| Ethane SCHEMBL1199897 | 0.76 | — | — | |
| Methane SCHEMBL14562663 | 0.76 | — | — | |
| SCHEMBL20539620 | 0.76 | — | — | |
| Methane SCHEMBL7159879 | 0.76 | — | — |
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-107849070-A | Phosphate diester salt, method for producing same, nonaqueous electrolyte solution for electricity storage device, and electricity storage device | 斯泰拉化工公司 | 2018-03-27 | — | — | CN | disclosed |