⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6416075 | 0.86 | FAAH (0.32) | — | |
| SCHEMBL13735602 | 0.83 | FAAH (0.30) | — | |
| SCHEMBL426377 | 0.79 | FAAH (0.35) | — | |
| SCHEMBL8499928 | 0.73 | — | — | |
| SCHEMBL28748080 | 0.68 | — | — | |
| SCHEMBL3371541 | 0.68 | — | — | |
| SCHEMBL25391442 | 0.64 | CCR1 (0.32) | — | |
| SCHEMBL27101 | 0.64 | — | — | |
| SCHEMBL735083 | 0.64 | — | — | |
| Water SCHEMBL10389199 | 0.62 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| EP-1499616-B1 | HETEROCYCLIC COMPOUNDS | ASTRAZENECA AB (SE) | 2009-06-17 | — | — | EP | disclosed |
| US-7417050-B2 | Cognition activators; Alzheimer's disease; attention deficit disorders; Parkinson's disease; Huntington's disease; neurodegenerative disease | ASTRAZENECA AB (SE) | 2008-08-26 | — | — | US | disclosed |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | ELAN PHARMACEUTICALS, INC. | 2007-09-13 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-20050131003-A1 | Heterocyclic compounds | ASTRAZENECA AB (SE) | 2005-06-16 | — | — | US | disclosed |
| EP-1499616-A1 | HETEROCYCLIC COMPOUNDS | AstraZeneca AB (SE) | 2005-01-26 | — | — | EP | disclosed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | disclosed |
| WO-2003087104-A1 | HETEROCYCLIC COMPOUNDS | ASTRAZENECA AB (SE) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | disclosed |