⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43225 | 0.97 | TP53 (0.35) | — | |
| SCHEMBL8404933 | 0.97 | TP53 (0.35) | — | |
| SCHEMBL1444639 | 0.97 | — | — | |
| SCHEMBL926478 | 0.95 | — | — | |
| Sulfuric Acid SCHEMBL11407683 | 0.83 | — | — | |
| SCHEMBL6663829 | 0.80 | TP53 (0.47) | — | |
| SCHEMBL31019979 | 0.77 | TP53 (0.44) | — | |
| SCHEMBL10808314 | 0.75 | — | — | |
| SCHEMBL447234 | 0.74 | TP53 (0.47) | — | |
| SCHEMBL27569981 | 0.74 | TP53 (0.47) | — |
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-0203681-B1 | COMPRESSED POWDER FORMULATION CONTAINING ORGANOPHILIC CLAY AND A PROCESS FOR MAKING THE FORMULATION | RHEOX INTERNATIONAL, INC. (US) | 1991-05-02 | — | — | EP | disclosed |