⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19706861 | 0.83 | — | — | |
| SCHEMBL14137380 | 0.71 | — | — | |
| SCHEMBL71386 | 0.60 | — | — | |
| SCHEMBL27580708 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL1462762 | 0.57 | — | — | |
| SCHEMBL6369378 | 0.56 | — | — | |
| SCHEMBL1792115 | 0.55 | — | — | |
| Iodide SCHEMBL10896530 | 0.55 | ALDH1A1 (0.53) | — | |
| SCHEMBL12938308 | 0.55 | — | — | |
| SCHEMBL12809446 | 0.55 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115160363-A | Functional two-dimensional hybrid perovskite material, film and preparation method | 东南大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-103476767-B | Heterocyclic compounds as PI3 kinase inhibitors | HOFFMANN LA ROCHE | 2015-06-10 | — | — | CN | disclosed |
| CN-103476767-A | Heterocyclic compounds as PI3 kinase inhibitors | HOFFMANN LA ROCHE | 2013-12-25 | — | — | CN | disclosed |
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | 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 |
| CN-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | disclosed |