⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22288444 | 0.78 | IDO1 (0.31) | — | |
| SCHEMBL28130790 | 0.74 | — | — | |
| SCHEMBL458794 | 0.72 | — | — | |
| SCHEMBL11636879 | 0.72 | — | — | |
| SCHEMBL2167419 | 0.72 | — | — | |
| SCHEMBL27963011 | 0.72 | — | — | |
| SCHEMBL10180211 | 0.72 | PDK2 (0.30) | — | |
| SCHEMBL263226 | 0.68 | — | — | |
| SCHEMBL271476 | 0.68 | NT5E (0.34) | — | |
| SCHEMBL4913702 | 0.68 | MAOB (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0706513-A1 | FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1996-04-17 | — | — | EP | disclosed |
| WO-1995001338-A1 | FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1995-01-12 | — | — | WO | disclosed |