⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2388469 | 1.00 | — | — | |
| Succinic Acid SCHEMBL28878150 | 0.80 | CYP1A2 (0.43) | — | |
| SCHEMBL22339943 | 0.80 | — | — | |
| SCHEMBL652869 | 0.80 | — | — | |
| SCHEMBL7138891 | 0.78 | — | — | |
| SCHEMBL2360465 | 0.77 | GABRR1 (0.39) | — | |
| SCHEMBL791253 | 0.77 | — | — | |
| SCHEMBL105210 | 0.77 | — | — | |
| SCHEMBL2599566 | 0.77 | — | — | |
| SCHEMBL17164603 | 0.77 | CYP1A2 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10836711-B2 | Method for the one-pot production of organo-iodinated compounds | GUERBET (FR) | 2020-11-17 | — | — | US | disclosed |
| EP-3086814-B1 | DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) | Bayer Pharma AG (DE) | 2020-06-24 | — | — | EP | disclosed |
| US-8017611-B2 | Pyridine and pyrazine derivatives -083 | ASTRAZENECA AB (SE) | 2011-09-13 | — | — | US | disclosed |
| EP-2215085-B1 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2011-09-07 | — | — | EP | disclosed |
| US-20090118305-A1 | PYRIDINE AND PYRAZINE DERIVATIVES - 083 | ASTRAZENECA AB (SE) | 2009-05-07 | — | — | US | disclosed |
| US-20040152772-A1 | 1-butyric acid derivatives and the use thereof | WARBURG GLYCOMED GMBH (DE) | 2004-08-05 | — | — | US | disclosed |
| EP-1377291-A2 | 1-BUTYRIC ACID DERIVATIVES SUCH AS CARBOMETHOXYPROPIONYL CYANIDE OR LEFLUNOMIDE DERIVATIVES, AND THE THERAPEUTIC USE THEREOF | Protagen AG (DE) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002072527-A2 | 1-BUTYRIC ACID DERIVATIVES SUCH AS CARBOMETHOXYPROPIONYL CYANIDE OR LEFLUNOMIDE DERIVATIVES, AND THE THERAPEUTIC USE THEREOF | PROTAGEN AKTIENGESELLSCHAFT (DE) | 2002-09-19 | — | — | WO | disclosed |
| EP-0474227-B2 | Functionalized peroxides for polymerization reactions | ATOCHEM NORTH AMERICA ELF (US) | 1998-06-10 | — | — | EP | disclosed |
| US-4174391-A | ANIMAL GROWTH REGULATORS | MAY & BAKER LIMITED (GB) | 1979-11-13 | — | — | US | disclosed |