⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3472692 | 0.90 | — | — | |
| SCHEMBL3471364 | 0.85 | — | — | |
| SCHEMBL2385242 | 0.84 | HRH3 (0.33) | — | |
| Iodide SCHEMBL6005797 | 0.83 | HRH3 (0.32) | — | |
| Bromide SCHEMBL7135727 | 0.83 | HRH3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2933737 | 0.83 | HRH3 (0.32) | — | |
| SCHEMBL3471523 | 0.81 | — | — | |
| SCHEMBL16700775 | 0.79 | ALDH1A1 (0.31) | — | |
| Sulfuric Acid SCHEMBL6005800 | 0.79 | CA2 (0.33) | — | |
| SCHEMBL7748878 | 0.79 | HRH3 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8287627-B2 | Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same | HYUNDAI MOTOR COMPANY (KR) | 2012-10-16 | — | — | US | claimed |
| US-20100326277-A1 | PIPERAZINIUM TRIFLUOROACETATE COMPOUND AND CARBON DIOXIDE ABSORBENT USING THE SAME | HYUNDAI MOTOR COMPANY (KR) | 2010-12-30 | — | — | US | claimed |
| US-8287627-B2 | Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same | HYUNDAI MOTOR COMPANY (KR) | 2012-10-16 | — | — | US | disclosed |
| US-20100326277-A1 | PIPERAZINIUM TRIFLUOROACETATE COMPOUND AND CARBON DIOXIDE ABSORBENT USING THE SAME | HYUNDAI MOTOR COMPANY (KR) | 2010-12-30 | — | — | US | disclosed |