⚠ 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 | |
|---|---|---|---|---|
| Diethyl Hydrogen Phosphate SCHEMBL3470090 | 0.86 | LMNA (0.30) | — | |
| Diethyl Hydrogen Phosphate SCHEMBL30381895 | 0.83 | — | — | |
| Diethyl Hydrogen Phosphate SCHEMBL693771 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL4235771 | 0.78 | — | — | |
| SCHEMBL3471862 | 0.76 | CDC25A (0.38) | — | |
| Acetic Acid SCHEMBL457320 | 0.76 | — | — | |
| SCHEMBL4536064 | 0.74 | — | — | |
| Diethyl Hydrogen Phosphate SCHEMBL6005556 | 0.72 | LMNA (0.31) | — | |
| Diethyl Hydrogen Phosphate SCHEMBL30381468 | 0.72 | MEN1 (0.30) | — | |
| Diethyl Hydrogen Phosphate SCHEMBL28617705 | 0.72 | MAPT (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421623-B1 | METHOD FOR SEPARATING AROMATIC COMPOUNDS | LANXESS DEUTSCHLAND GMBH (DE) | 2016-11-02 | — | — | EP | claimed |
| 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 |