⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20972394 | 0.87 | — | — | |
| SCHEMBL21678748 | 0.87 | — | — | |
| SCHEMBL19148645 | 0.87 | — | — | |
| SCHEMBL17747421 | 0.87 | — | — | |
| SCHEMBL17747408 | 0.83 | — | — | |
| SCHEMBL19799291 | 0.83 | — | — | |
| SCHEMBL17538774 | 0.82 | MAPK1 (0.30) | — | |
| SCHEMBL30683615 | 0.81 | — | — | |
| SCHEMBL22400744 | 0.80 | — | — | |
| SCHEMBL16869825 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017097246-A1 | FLUORINATED BENZOXADIAZOLE-BASED DONOR-ACCEPTOR POLYMERS FOR ELECTRONIC AND PHOTONIC APPLICATIONS | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2017-06-15 | — | — | WO | disclosed |