⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9872229 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL9874163 | 0.75 | — | — | |
| SCHEMBL2971139 | 0.73 | — | — | |
| SCHEMBL457306 | 0.70 | — | — | |
| SCHEMBL3180289 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL9548905 | 0.64 | CA12 (0.35) | — | |
| SCHEMBL8196392 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL1849617 | 0.64 | CA12 (0.35) | — | |
| SCHEMBL77640 | 0.64 | CA9 (0.35) | — | |
| SCHEMBL221144 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5185450-A | Tetrazolium compounds for cell viability assays | UNIVERSITY OF SOUTH FLORIDA (US) | 1993-02-09 | — | — | US | disclosed |