⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16750054 | 0.71 | — | — | |
| SCHEMBL28211679 | 0.71 | — | — | |
| SCHEMBL28707935 | 0.67 | — | — | |
| SCHEMBL22511210 | 0.67 | — | — | |
| SCHEMBL1488407 | 0.65 | — | — | |
| SCHEMBL23061698 | 0.63 | TDP1 (0.33) | — | |
| SCHEMBL104329 | 0.63 | — | — | |
| SCHEMBL1488406 | 0.63 | — | — | |
| SCHEMBL479170 | 0.63 | — | — | |
| SCHEMBL21538533 | 0.62 | NPC1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230143470-A1 | SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ | NATIONAL INSTITUTES OF HEALTH | 2023-05-11 | — | — | US | disclosed |
| 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 |
| US-20120059162-A1 | FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION | ONCOTHERAPY SCIENCE, INC. (JP) | 2012-03-08 | — | — | US | disclosed |