⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6359501 | 0.64 | — | — | |
| SCHEMBL17338564 | 0.60 | — | — | |
| SCHEMBL31481251 | 0.60 | MEN1 (0.36) | — | |
| SCHEMBL3815799 | 0.59 | — | — | |
| SCHEMBL3379611 | 0.54 | — | — | |
| SCHEMBL2511499 | 0.54 | — | — | |
| Water SCHEMBL11391925 | 0.53 | — | — | |
| SCHEMBL4073685 | 0.49 | — | — | |
| Water SCHEMBL8221741 | 0.47 | — | — | |
| SCHEMBL3262997 | 0.46 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3807270-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | disclosed |
| WO-2019238616-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |
| EP-2780324-A1 | HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A | Abbvie Deutschland GmbH & Co. KG (DE) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013068489-A1 | HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A | ABBOTT GMBH & CO. KG (DE) | 2013-05-16 | — | — | WO | disclosed |