⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14019463 | 0.78 | USP2 (0.41) | — | |
| SCHEMBL19046831 | 0.76 | — | — | |
| SCHEMBL18535527 | 0.75 | — | — | |
| SCHEMBL15806841 | 0.75 | SLC6A2 (0.33) | — | |
| SCHEMBL23732901 | 0.73 | SLC6A2 (0.33) | — | |
| SCHEMBL19498114 | 0.73 | CRHBP (0.32) | — | |
| SCHEMBL20715276 | 0.73 | CYP2D6 (0.33) | — | |
| SCHEMBL25962928 | 0.73 | — | — | |
| SCHEMBL20715185 | 0.72 | — | — | |
| SCHEMBL23623874 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230212180-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-07-06 | — | — | US | disclosed |
| EP-4169913-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2023-04-26 | — | — | EP | disclosed |
| WO-2023274396-A1 | BENZAZEPINE HETEROCYCLIC COMPOUND AND APPLICATION THEREOF IN MEDICINE | 广东东阳光药业有限公司 | 2023-01-05 | — | — | WO | disclosed |
| WO-2021259077-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-12-30 | — | — | WO | disclosed |
| WO-2019027960-A1 | PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-02-07 | — | — | WO | disclosed |
| US-20170305922-A1 | CARM1 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2017-10-26 | — | — | US | disclosed |