⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28275488 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL3655860 | 0.74 | — | — | |
| SCHEMBL28043504 | 0.74 | KDM4E (0.42) | — | |
| SCHEMBL27996373 | 0.70 | CNR2 (0.37) | — | |
| SCHEMBL10636168 | 0.70 | MCL1 (0.38) | — | |
| SCHEMBL9956842 | 0.69 | SLC6A3 (0.31) | — | |
| Acetic Acid SCHEMBL28183448 | 0.64 | ROCK2 (0.35) | — | |
| SCHEMBL5173786 | 0.64 | — | — | |
| SCHEMBL5175150 | 0.64 | — | — | |
| SCHEMBL9426936 | 0.63 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1581213-A4 | 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA INC (US) | 2008-11-19 | — | — | EP | disclosed |
| US-7317029-B2 | 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof | CYTOVIA, INC. (US) | 2008-01-08 | — | — | US | disclosed |
| US-20070112003-A1 | 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof | CYTOVIA, INC. (US) | 2007-05-17 | — | — | US | disclosed |
| US-7144876-B2 | 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof | CYTOVIA, INC. (US) | 2006-12-05 | — | — | US | disclosed |
| EP-1581213-A1 | 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | Cytovia, Inc. (US) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004058253-A1 | 3,5-DISUBSTITUTED-[1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2004-07-15 | — | — | WO | disclosed |
| US-20040127521-A1 | 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof | CYTOVIA, INC. | 2004-07-01 | — | — | US | disclosed |