⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25681971 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL943450 | 0.61 | TDP1 (0.42) | — | |
| SCHEMBL25682017 | 0.61 | — | — | |
| SCHEMBL20091148 | 0.61 | — | — | |
| Hydrogen Sulfide SCHEMBL29027315 | 0.60 | TDP1 (0.41) | — | |
| SCHEMBL25682010 | 0.60 | — | — | |
| SCHEMBL692295 | 0.58 | CA1 (0.32) | — | |
| SCHEMBL19699641 | 0.58 | MEN1 (0.41) | — | |
| SCHEMBL25862528 | 0.57 | TDP1 (0.46) | — | |
| SCHEMBL17545697 | 0.56 | TDP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023090665-A1 | NOVEL ADDITIVE FOR NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY COMPRISING SAME | 주식회사 엘지에너지솔루션 | 2023-05-25 | — | — | WO | disclosed |