⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL650875 | 0.87 | — | — | |
| SCHEMBL10816942 | 0.69 | — | — | |
| SCHEMBL2362683 | 0.69 | — | — | |
| SCHEMBL8357828 | 0.65 | — | — | |
| SCHEMBL3967620 | 0.65 | — | — | |
| SCHEMBL37418 | 0.65 | — | — | |
| SCHEMBL5597740 | 0.65 | — | — | |
| Carbon Dioxide SCHEMBL28724073 | 0.63 | — | — | |
| SCHEMBL95320 | 0.63 | — | — | |
| SCHEMBL2707394 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113646941-B | Electrolyte solution for lithium secondary battery and lithium secondary battery comprising same | 株式会社LG新能源 | 2024-07-02 | — | — | CN | claimed |
| CN-113646941-B | Electrolyte solution for lithium secondary battery and lithium secondary battery comprising same | 株式会社LG新能源 | 2024-07-02 | — | — | CN | disclosed |
| EP-0414903-A1 | NEW THIOPROLINE DERIVATIVE | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1991-03-06 | — | — | EP | disclosed |