⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL575501 | 0.81 | — | — | |
| SCHEMBL2763764 | 0.80 | — | — | |
| SCHEMBL14661644 | 0.79 | — | — | |
| SCHEMBL15230161 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL6397102 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL575293 | 0.69 | — | — | |
| Perflubutane SCHEMBL5188622 | 0.67 | LMNA (0.41) | — | |
| SCHEMBL21906292 | 0.67 | LMNA (0.38) | — | |
| SCHEMBL20560921 | 0.67 | LMNA (0.38) | — | |
| SCHEMBL11659880 | 0.67 | LMNA (0.38) | — |
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-2180002-B1 | Method for producing onium salts with dialkyl phosphonate anions with low halogenide content | MERCK PATENT GMBH (DE) | 2012-12-26 | — | — | EP | disclosed |
| EP-2180002-A1 | Method for producing onium salts with dialkyl phosphonate anions with low halogenide content | Merck Patent GmbH (DE) | 2010-04-28 | — | — | EP | disclosed |
| US-20090253914-A1 | PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH DIALKYLPHOSPHATE, DIALKYLPHOSPHINATE OR (O-ALKYL)ALKYL- OR ALKYLPHOSPHONATE ANIONS HAVING A LOW HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2009-10-08 | — | — | US | disclosed |
| EP-1824866-A1 | METHOD FOR PRODUCING ONIUM SALTS COMPRISING DIALKYLPHOSPHATE ANIONS, DIALKYLPHOSPHINATE ANIONS OR (O-ALKYL)-ALKYL ANIONS OR ALKYL-PHOSPHONATE ANIONS HAVING A LOW HALIDE CONTENT | MERCK PATENT GmbH (DE) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006063655-A1 | METHOD FOR PRODUCING ONIUM SALTS COMPRISING DIALKYLPHOSPHATE ANIONS, DIALKYLPHOSPHINATE ANIONS OR (O-ALKYL)-ALKYL ANIONS OR ALKYL-PHOSPHONATE ANIONS HAVING A LOW HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |