⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26712961 | 1.00 | — | — | |
| SCHEMBL3540274 | 1.00 | — | — | |
| SCHEMBL3540277 | 1.00 | — | — | |
| SCHEMBL21077277 | 1.00 | — | — | |
| SCHEMBL15723399 | 0.93 | — | — | |
| SCHEMBL812613 | 0.93 | — | — | |
| SCHEMBL25973857 | 0.93 | — | — | |
| SCHEMBL812612 | 0.93 | — | — | |
| SCHEMBL21522 | 0.93 | — | — | |
| SCHEMBL812923 | 0.90 | CA1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200131201-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-04-30 | — | — | US | disclosed |
| WO-2020081508-A1 | TYK2 INHIBITORS AND USES THEREOF | NIMBUS LAKSHMI, INC. (US) | 2020-04-23 | — | — | WO | disclosed |
| US-7829586-B2 | Aryl-substituted nitrogen-containing heterocyclic compounds | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-11-09 | — | — | US | disclosed |
| US-20090275617-A1 | Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds | MSD K.K. (JP) | 2009-11-05 | — | — | US | disclosed |
| EP-1935881-A1 | ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-06-25 | — | — | EP | disclosed |