⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9941922 | 0.75 | — | — | |
| SCHEMBL598089 | 0.74 | — | — | |
| SCHEMBL28106176 | 0.74 | PRKCA (0.36) | — | |
| Hydrochloric Acid SCHEMBL9941885 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL12369611 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL12221939 | 0.71 | — | — | |
| SCHEMBL13286524 | 0.69 | — | — | |
| SCHEMBL22272342 | 0.69 | LPAR6 (0.31) | — | |
| SCHEMBL9588597 | 0.67 | — | — | |
| SCHEMBL20180370 | 0.67 | — | — |
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-9429561-B2 | Detection of nucleic acid lesions and adducts using nanopores | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2016-08-30 | — | — | US | disclosed |