⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13752015 | 0.75 | — | — | |
| SCHEMBL20525343 | 0.72 | — | — | |
| SCHEMBL3824267 | 0.61 | — | — | |
| SCHEMBL17221093 | 0.60 | ALDH1A1 (0.33) | — | |
| Ethylene SCHEMBL10950651 | 0.57 | — | — | |
| SCHEMBL19310485 | 0.57 | — | — | |
| SCHEMBL1457364 | 0.57 | — | — | |
| SCHEMBL10794757 | 0.57 | — | — | |
| SCHEMBL622144 | 0.56 | PRSS1 (0.33) | — | |
| SCHEMBL38660335 | 0.56 | — | — |
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-110383565-A | Addition agent of non-aqueous electrolyte, nonaqueous electrolytic solution and electrical storage device | 住友精化株式会社 | 2019-10-25 | — | — | CN | disclosed |