⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20782136 | 0.93 | ALDH1A1 (0.31) | — | |
| SCHEMBL16843166 | 0.90 | — | — | |
| SCHEMBL16877050 | 0.76 | — | — | |
| SCHEMBL26148294 | 0.74 | — | — | |
| SCHEMBL23514665 | 0.74 | JAK2 (0.33) | — | |
| SCHEMBL26032877 | 0.74 | JAK2 (0.33) | — | |
| SCHEMBL12707535 | 0.73 | — | — | |
| SCHEMBL26148296 | 0.73 | — | — | |
| SCHEMBL20781997 | 0.72 | OPRM1 (0.32) | — | |
| SCHEMBL12707538 | 0.71 | — | — |
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-20230136194-A1 | TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | Shanghai Simr Biotechnology Co., Ltd. (CN) | 2023-05-04 | — | — | US | disclosed |
| US-9725470-B2 | Substituted naphthyridines as JAK kinase inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2017-08-08 | — | — | US | disclosed |
| US-9725470-B2 | Substituted naphthyridines as JAK kinase inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2017-08-08 | — | — | US | disclosed |
| US-20160347772-A1 | NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-12-01 | — | — | US | disclosed |
| US-20160347772-A1 | NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-12-01 | — | — | US | disclosed |