⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19121540 | 0.81 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL18545809 | 0.81 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL19116363 | 0.75 | GCGR (0.36) | — | |
| SCHEMBL12170093 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL18843387 | 0.74 | ALOX5 (0.37) | — | |
| SCHEMBL19116270 | 0.73 | ALOX5 (0.36) | — | |
| SCHEMBL12174042 | 0.71 | KMT2A (0.38) | — | |
| SCHEMBL21118594 | 0.69 | KDM4E (0.32) | — | |
| SCHEMBL18545931 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL18842870 | 0.68 | KDM4E (0.32) | — |
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-10875957-B2 | Fluorine substitution influence on benzo[2,1,3]thiodiazole based polymers for field-effect transistor applications | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-12-29 | — | — | US | disclosed |