⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11219613 | 0.85 | MLYCD (0.35) | — | |
| SCHEMBL11464689 | 0.81 | CA1 (0.31) | — | |
| SCHEMBL11404455 | 0.70 | GAA (0.38) | — | |
| SCHEMBL29443937 | 0.67 | CNR1 (0.35) | — | |
| SCHEMBL2202996 | 0.67 | RORC (0.33) | — | |
| SCHEMBL10789031 | 0.66 | CA2 (0.52) | — | |
| SCHEMBL11342089 | 0.66 | CA1 (0.34) | — | |
| SCHEMBL29443938 | 0.66 | RORC (0.35) | — | |
| SCHEMBL11168786 | 0.65 | KDM4E (0.36) | — | |
| SCHEMBL11335599 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0010844-A1 | Novel N,N'-bis(trifluoromethylsulfonyl)oxamides, chemiluminescent compositions containing them and processes for generating chemiluminescence employing said compositions | AMERICAN CYANAMID COMPANY (US) | 1980-05-14 | — | — | EP | claimed |