⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL4178711 | 0.96 | — | — | |
| Fumaric Acid SCHEMBL4469315 | 0.89 | ALDH1A1 (0.32) | — | |
| Fumaric Acid SCHEMBL4178710 | 0.88 | ALDH1A1 (0.32) | — | |
| Fumaric Acid SCHEMBL4469314 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL4181329 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL4185595 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL1385654 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL4179224 | 0.76 | CTDSP1 (0.41) | — | |
| SCHEMBL4179228 | 0.76 | CTDSP1 (0.41) | — | |
| SCHEMBL4460047 | 0.76 | SCN5A (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7589117-B2 | Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2009-09-15 | — | — | US | disclosed |
| US-7078428-B2 | Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-07-18 | — | — | US | disclosed |
| US-20060148880-A1 | Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-07-06 | — | — | US | disclosed |
| US-20040048916-A1 | Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them | AVENTIS PHARMA DEUSCHLAND GMBH (DE) | 2004-03-11 | — | — | US | disclosed |