⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL166907 | 0.88 | HTT (0.34) | — | |
| Ethylene SCHEMBL4296949 | 0.84 | HTT (0.32) | — | |
| SCHEMBL1494561 | 0.70 | — | — | |
| SCHEMBL2432292 | 0.70 | — | — | |
| SCHEMBL28540838 | 0.69 | HTT (0.35) | — | |
| SCHEMBL16669055 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL38387 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL14013858 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL10939609 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL667159 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080102375-A1 | NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2008-05-01 | — | — | US | disclosed |