⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6292949 | 1.00 | — | — | |
| SCHEMBL11990777 | 1.00 | — | — | |
| Acetic Acid SCHEMBL10849586 | 0.95 | SLC1A2 (0.39) | — | |
| SCHEMBL5696888 | 0.87 | — | — | |
| SCHEMBL809387 | 0.87 | — | — | |
| SCHEMBL805293 | 0.87 | — | — | |
| SCHEMBL12513402 | 0.85 | — | — | |
| SCHEMBL464411 | 0.85 | — | — | |
| SCHEMBL464469 | 0.85 | — | — | |
| SCHEMBL3958779 | 0.85 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018031707-A1 | ACYL BENZO[D]THIAZOL-2-AMINE AND THEIR METHODS OF USE | BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) | 2018-02-15 | — | — | WO | disclosed |
| WO-2016140879-A9 | RILUZOLE PRODRUGS AND THEIR USE | BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) | 2016-11-03 | — | — | WO | disclosed |
| US-8883833-B2 | Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders | DECODE GENETICS EHF (IS) | 2014-11-11 | — | — | US | disclosed |
| US-8883833-B2 | Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders | DECODE GENETICS EHF (IS) | 2014-11-11 | — | — | US | disclosed |
| US-20090130077-A1 | SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS | DECODE GENETICS EHF (IS) | 2009-05-21 | — | — | US | disclosed |
| US-20090130077-A1 | SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS | DECODE GENETICS EHF (IS) | 2009-05-21 | — | — | US | disclosed |