⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28856189 | 0.81 | — | — | |
| Thiocyanic Acid SCHEMBL28049327 | 0.78 | CA1 (0.35) | — | |
| SCHEMBL28439675 | 0.77 | — | — | |
| SCHEMBL28403143 | 0.74 | — | — | |
| Fluoride SCHEMBL1896494 | 0.73 | — | — | |
| SCHEMBL28426033 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL61431 | 0.73 | — | — | |
| SCHEMBL29240135 | 0.71 | — | — | |
| SCHEMBL27809614 | 0.71 | — | — | |
| Bromide SCHEMBL28581116 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116092839-A | Super capacitor with wide temperature range | 快帽系统公司 | 2023-05-09 | — | — | CN | disclosed |