⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1768217 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL13386456 | 0.70 | CA12 (0.57) | — | |
| SCHEMBL652873 | 0.69 | — | — | |
| SCHEMBL30930081 | 0.67 | — | — | |
| SCHEMBL5602413 | 0.62 | — | — | |
| SCHEMBL1298184 | 0.60 | KDM4E (0.57) | — | |
| SCHEMBL7468780 | 0.60 | CA2 (0.57) | — | |
| SCHEMBL4788290 | 0.59 | ACHE (0.42) | — | |
| Hydrochloric Acid SCHEMBL27460139 | 0.59 | HTT (0.38) | — | |
| SCHEMBL6628483 | 0.59 | — | — |
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-20170217903-A1 | ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR | WAYNE STATE UNIVERSITY | 2017-08-03 | — | — | US | disclosed |