⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45851 | 0.76 | — | — | |
| SCHEMBL18044434 | 0.72 | — | — | |
| SCHEMBL11368868 | 0.69 | LMNA (0.41) | — | |
| SCHEMBL7964750 | 0.67 | — | — | |
| SCHEMBL379153 | 0.64 | — | — | |
| SCHEMBL29920443 | 0.64 | — | — | |
| SCHEMBL7769296 | 0.64 | — | — | |
| SCHEMBL4080459 | 0.64 | — | — | |
| SCHEMBL22130034 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL15338408 | 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-20170081293-A1 | Functionalized Tyrosine Kinase Inhibitors Modified with Precious Metal Electrophiles and Methods Associated Therewith | WAKE FOREST UNIVERSITY | 2017-03-23 | — | — | US | disclosed |