⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2401412 | 0.79 | — | — | |
| SCHEMBL15851496 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL17922010 | 0.70 | — | — | |
| SCHEMBL2003111 | 0.69 | MEN1 (0.33) | — | |
| Propanol SCHEMBL17530760 | 0.68 | — | — | |
| SCHEMBL17052983 | 0.68 | — | — | |
| SCHEMBL13013088 | 0.68 | — | — | |
| SCHEMBL10592768 | 0.68 | — | — | |
| SCHEMBL15127418 | 0.67 | — | — | |
| SCHEMBL2522847 | 0.66 | — | — |
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-2021212512-A1 | BATTERY COOLANT AND BATTERY ENCAPSULATION STRUCTURE | 东莞新能德科技有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |