⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL23000816 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL9655412 | 0.75 | — | — | |
| SCHEMBL379219 | 0.72 | CYP1A2 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL31745115 | 0.70 | ALDH1A1 (0.50) | — | |
| SCHEMBL17818683 | 0.70 | CYP1A2 (0.31) | — | |
| SCHEMBL3047206 | 0.68 | — | — | |
| SCHEMBL9747384 | 0.68 | TSHR (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL27947517 | 0.68 | HRH4 (0.33) | — | |
| SCHEMBL22523305 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL14135896 | 0.67 | ALDH1A1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118026845-A | Fluoroacetate compound | 大金工业株式会社 | 2024-05-14 | — | — | CN | disclosed |
| CN-111656595-B | Electrolyte, electrochemical device, lithium ion secondary battery and assembly | 大金工业株式会社 | 2024-01-05 | — | — | CN | disclosed |