⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL838767 | 1.00 | — | — | |
| SCHEMBL838766 | 1.00 | — | — | |
| SCHEMBL840050 | 0.83 | TDP1 (0.37) | — | |
| SCHEMBL878231 | 0.83 | TDP1 (0.37) | — | |
| SCHEMBL840049 | 0.83 | TDP1 (0.37) | — | |
| SCHEMBL840051 | 0.83 | TDP1 (0.37) | — | |
| SCHEMBL1784949 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL18913867 | 0.80 | TDP1 (0.42) | — | |
| SCHEMBL21101392 | 0.80 | TDP1 (0.42) | — | |
| SCHEMBL17786037 | 0.80 | CA1 (0.38) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230023559-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC (US) | 2023-01-26 | — | — | US | disclosed |
| US-20230023559-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC (US) | 2023-01-26 | — | — | US | disclosed |
| CN-113105475-B | Inhibitors of bruton's tyrosine kinase and methods of use thereof | 詹森药业有限公司 | 2022-09-09 | — | — | CN | disclosed |
| EP-4041229-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. Shaw Research, LLC (US) | 2022-08-17 | — | — | EP | disclosed |
| CN-113105475-A | Inhibitors of bruton's tyrosine kinase and methods of use thereof | 詹森药业有限公司 | 2021-07-13 | — | — | CN | disclosed |
| US-8143263-B2 | Therapeutic agents | ASTRAZENECA AB (SE) | 2012-03-27 | — | — | US | disclosed |
| US-8143263-B2 | Therapeutic agents | ASTRAZENECA AB (SE) | 2012-03-27 | — | — | US | disclosed |
| US-8143263-B2 | Therapeutic agents | ASTRAZENECA AB (SE) | 2012-03-27 | — | — | US | disclosed |
| EP-2324028-A2 | THERAPEUTIC AGENTS 414 | AstraZeneca AB (SE) | 2011-05-25 | — | — | EP | disclosed |
| US-20100093757-A1 | THERAPEUTIC AGENTS 414 | ASTRAZENECA AB (SE) | 2010-04-15 | — | — | US | disclosed |
| US-20100093757-A1 | THERAPEUTIC AGENTS 414 | ASTRAZENECA AB (SE) | 2010-04-15 | — | — | US | disclosed |
| US-20100093757-A1 | THERAPEUTIC AGENTS 414 | ASTRAZENECA AB (SE) | 2010-04-15 | — | — | US | disclosed |
| WO-2010015849-A2 | THERAPEUTIC AGENTS 414 | ASTRAZENECA AB (SE) | 2010-02-11 | — | — | WO | disclosed |
| WO-2010015849-A2 | THERAPEUTIC AGENTS 414 | ASTRAZENECA AB (SE) | 2010-02-11 | — | — | WO | disclosed |