⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17469790 | 0.73 | KIT (0.44) | — | |
| SCHEMBL17469793 | 0.67 | KIT (0.51) | — | |
| SCHEMBL17469780 | 0.64 | KIT (0.62) | — | |
| SCHEMBL17469647 | 0.58 | KIT (0.70) | — | |
| SCHEMBL18999170 | 0.57 | KIT (0.42) | — | |
| SCHEMBL17469789 | 0.56 | KIT (0.52) | — | |
| SCHEMBL17469788 | 0.56 | KIT (0.52) | — | |
| SCHEMBL18999204 | 0.54 | KIT (0.46) | — | |
| SCHEMBL17469638 | 0.54 | KIT (0.57) | — | |
| SCHEMBL21152053 | 0.53 | KIT (0.44) | — |
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-20170174620-A1 | LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME | UNIVERSITY OF MARYLAND, COLLEGE PARK | 2017-06-22 | — | — | US | disclosed |