⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL28604169 | 0.82 | — | — | |
| Propene SCHEMBL4305670 | 0.81 | — | — | |
| Ethylene SCHEMBL28695158 | 0.79 | — | — | |
| SCHEMBL891720 | 0.79 | — | — | |
| Acetic Acid SCHEMBL28318555 | 0.73 | FFAR3 (0.50) | — | |
| SCHEMBL1470003 | 0.73 | — | — | |
| Propene SCHEMBL28664553 | 0.72 | — | — | |
| Propene SCHEMBL8172306 | 0.71 | — | — | |
| Propene SCHEMBL28602514 | 0.69 | LMNA (0.44) | — | |
| Propene SCHEMBL28599100 | 0.69 | LMNA (0.44) | — |
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-114175320-A | Electrolyte composition for electrochemical cells comprising lithium anodes | 帅福得电池有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-106165184-B | Alkylbenzoic acid ester derivant as lithium-base battery group electrolyte additive | 国轩高科美国研究院 | 2019-03-01 | — | — | CN | disclosed |