⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21591624 | 0.83 | PNMT (0.42) | — | |
| SCHEMBL21591683 | 0.83 | PNMT (0.42) | — | |
| SCHEMBL21591620 | 0.70 | PNMT (0.41) | — | |
| SCHEMBL21591614 | 0.70 | PNMT (0.41) | — | |
| SCHEMBL1313301 | 0.68 | SIGMAR1 (0.39) | — | |
| SCHEMBL1195555 | 0.68 | — | — | |
| SCHEMBL1482248 | 0.64 | — | — | |
| SCHEMBL17240081 | 0.64 | — | — | |
| SCHEMBL7836137 | 0.62 | — | — | |
| SCHEMBL29378632 | 0.59 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11713327-B2 | Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease | HOFFMANN-LA ROCHE INC. (US) | 2023-08-01 | — | — | US | claimed |
| US-20210300947-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2021-09-30 | — | — | US | claimed |
| EP-3807270-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | claimed |
| WO-2019238616-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | claimed |
| US-11713327-B2 | Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease | HOFFMANN-LA ROCHE INC. (US) | 2023-08-01 | — | — | US | disclosed |
| US-20210300947-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2021-09-30 | — | — | US | disclosed |
| 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 |