⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18257142 | 0.97 | TSHR (0.30) | — | |
| SCHEMBL15987098 | 0.93 | — | — | |
| SCHEMBL175143 | 0.82 | — | — | |
| SCHEMBL18211010 | 0.82 | — | — | |
| SCHEMBL239272 | 0.79 | — | — | |
| SCHEMBL1904137 | 0.73 | — | — | |
| SCHEMBL308930 | 0.73 | — | — | |
| SCHEMBL10904378 | 0.73 | — | — | |
| SCHEMBL12593776 | 0.73 | — | — | |
| SCHEMBL17210768 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160054325-A1 | MOLECULAR PROFILING OF TUMORS | CARIS MPI, INC. | 2016-02-25 | — | — | US | disclosed |
| US-20150361508-A1 | MOLECULAR PROFILING OF TUMORS | CARIS MPI, INC. | 2015-12-17 | — | — | US | disclosed |