⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11053976 | 0.72 | — | — | |
| SCHEMBL548372 | 0.67 | MAPK1 (0.31) | — | |
| SCHEMBL6427566 | 0.67 | — | — | |
| SCHEMBL1478221 | 0.65 | MAPK1 (0.34) | — | |
| SCHEMBL102770 | 0.64 | POLB (0.33) | — | |
| SCHEMBL4515851 | 0.61 | ADRB1 (0.36) | — | |
| SCHEMBL12080536 | 0.57 | — | — | |
| SCHEMBL1986043 | 0.56 | — | — | |
| SCHEMBL4762705 | 0.52 | — | — | |
| SCHEMBL2138817 | 0.49 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7595314-B2 | Benzoyl-piperazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-09-29 | — | — | US | claimed |
| US-5010085-A | Analgesis and/or diuretics | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-04-23 | — | — | US | claimed |
| CN-102180824-B | Method for preparing pyrrole derivative | UNIV EAST CHINA SCIENCE & TECH | 2012-11-14 | — | — | CN | disclosed |
| CN-102180824-A | Method for preparing pyrrole derivative | UNIV EAST CHINA SCIENCE & TECH | 2011-09-14 | — | — | CN | disclosed |
| US-6008228-A | COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS | HOFFMAN-LA ROCHE INC. (US) | 1999-12-28 | — | — | US | disclosed |
| EP-0831826-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE | F. HOFFMANN-LA ROCHE AG (CH) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996039142-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE | F. HOFFMANN-LA ROCHE AG (CH) | 1996-12-12 | — | — | WO | disclosed |