⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4615826 | 0.85 | — | — | |
| SCHEMBL10583250 | 0.83 | GSR (0.40) | — | |
| SCHEMBL2516469 | 0.83 | — | — | |
| SCHEMBL22401617 | 0.80 | — | — | |
| SCHEMBL22401620 | 0.80 | — | — | |
| Isoamylamine SCHEMBL6018522 | 0.76 | GABRR1 (0.44) | — | |
| SCHEMBL5142464 | 0.76 | — | — | |
| SCHEMBL28846270 | 0.74 | — | — | |
| SCHEMBL7159580 | 0.74 | — | — | |
| SCHEMBL28000810 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002100871-A1 | NEW COMPOUNDS USEFUL IN REFLUX DISEASE | ASTRAZENECA AB (SE) | 2002-12-19 | — | — | WO | claimed |
| US-9279085-B2 | Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2016-03-08 | — | — | US | disclosed |
| WO-2012009646-A1 | METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS | XENOPORT, INC. (US) | 2012-01-19 | — | — | WO | disclosed |
| US-20120016021-A1 | METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS | XENOPORT, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| US-20110251315-A1 | Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-10-13 | — | — | US | disclosed |
| WO-2002100871-A1 | NEW COMPOUNDS USEFUL IN REFLUX DISEASE | ASTRAZENECA AB (SE) | 2002-12-19 | — | — | WO | disclosed |