⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21878337 | 0.82 | KCNH2 (0.46) | — | |
| SCHEMBL21878336 | 0.82 | KCNH2 (0.46) | — | |
| SCHEMBL3377599 | 0.78 | KCNH2 (0.43) | — | |
| SCHEMBL3377596 | 0.78 | KCNH2 (0.43) | — | |
| SCHEMBL3377605 | 0.78 | KCNH2 (0.43) | — | |
| SCHEMBL4779781 | 0.78 | KCNH2 (0.43) | — | |
| SCHEMBL29692705 | 0.76 | KCNH2 (0.42) | — | |
| SCHEMBL21878295 | 0.73 | KCNH2 (0.64) | — | |
| SCHEMBL21878296 | 0.73 | KCNH2 (0.64) | — | |
| SCHEMBL3377830 | 0.73 | KCNH2 (0.42) | — |
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-11352349-B2 | Type II topoisomerase inhibitors and methods of making and using thereof | OHIO STATE INNOVATION FOUNDATION (US) | 2022-06-07 | — | — | US | disclosed |
| US-20200131158-A1 | TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF | OHIO STATE INNOVATION FOUNDATION | 2020-04-30 | — | — | US | disclosed |
| US-9419282-B2 | Organic active materials for batteries | UCHICAGO ARGONNE, LLC (US) | 2016-08-16 | — | — | US | disclosed |