⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL147689 | 0.97 | — | — | |
| SCHEMBL28204286 | 0.94 | — | — | |
| Acetonitrile SCHEMBL28350047 | 0.85 | KEAP1 (0.31) | — | |
| SCHEMBL7711150 | 0.83 | KEAP1 (0.33) | — | |
| SCHEMBL1698996 | 0.77 | — | — | |
| SCHEMBL21750382 | 0.75 | HCAR2 (0.40) | — | |
| Formic Acid Methyl Ester SCHEMBL808429 | 0.75 | HCAR2 (0.40) | — | |
| SCHEMBL6416034 | 0.75 | HCAR2 (0.40) | — | |
| SCHEMBL7628702 | 0.74 | — | — | |
| SCHEMBL28285542 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1989122-B | Novel cyclopenta [ b ] benzofuran derivatives and uses thereof | INTERMED DISCOVERY GMBH | 2013-07-24 | — | — | CN | disclosed |
| CN-1989122-A | Novel cyclopenta [ b ] benzofuran derivatives and uses thereof | BAYER HEALTHCARE AG (DE) | 2007-06-27 | — | — | CN | disclosed |
| US-20060054290-A1 | Novel catalytic activities of oxidoreductases for oxidation and or bleaching | CALL HANS-PETER | 2006-03-16 | — | — | US | disclosed |