⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL461808 | 0.90 | — | — | |
| Bromide SCHEMBL27520214 | 0.87 | — | — | |
| SCHEMBL27691344 | 0.83 | — | — | |
| SCHEMBL27864610 | 0.81 | — | — | |
| Norflurane SCHEMBL27984687 | 0.77 | — | — | |
| Tetrafluoroethylene SCHEMBL16114463 | 0.77 | — | — | |
| SCHEMBL83257 | 0.69 | — | — | |
| SCHEMBL27862049 | 0.69 | — | — | |
| Tetrafluoroethylene SCHEMBL28325356 | 0.69 | — | — | |
| SCHEMBL44006 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9243282-A | — | — | None | — | — | JP | disclosed |
| CN-111201641-A | Electrode for nonaqueous electrolyte secondary battery | 日产自动车株式会社 | 2020-05-26 | — | — | CN | disclosed |
| JP-H09243282-A | HEAT EXCHANGER TUBE FOR CONDENSER | OSAKA GAS CO LTD | 1997-09-19 | — | — | JP | disclosed |