⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29194219 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL11342089 | 0.83 | CA1 (0.34) | — | |
| SCHEMBL11339864 | 0.79 | CES2 (0.36) | — | |
| SCHEMBL10787652 | 0.77 | — | — | |
| SCHEMBL11335599 | 0.77 | — | — | |
| SCHEMBL10786280 | 0.75 | CA12 (0.40) | — | |
| SCHEMBL11336387 | 0.74 | — | — | |
| SCHEMBL11340804 | 0.74 | — | — | |
| SCHEMBL11175492 | 0.74 | — | — | |
| SCHEMBL11168786 | 0.74 | KDM4E (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0010844-B1 | NOVEL N,N'-BIS(TRIFLUOROMETHYLSULFONYL)OXAMIDES, CHEMILUMINESCENT COMPOSITIONS CONTAINING THEM AND PROCESSES FOR GENERATING CHEMILUMINESCENCE EMPLOYING SAID COMPOSITIONS | AMERICAN CYANAMID COMPANY (US) | 1981-10-07 | — | — | EP | disclosed |
| US-4226738-A | SUPERIOR LIGHT INTENSITY, QUANTUM EFFICIENT, AND LONG-LASTING | AMERICAN CYANAMID COMPANY (US) | 1980-10-07 | — | — | US | disclosed |
| 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 | disclosed |