⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13024562 | 0.73 | EPHX1 (0.58) | — | |
| SCHEMBL272618 | 0.71 | — | — | |
| SCHEMBL16985217 | 0.71 | GABRP (0.42) | — | |
| SCHEMBL20082922 | 0.71 | — | — | |
| SCHEMBL29374736 | 0.71 | — | — | |
| SCHEMBL16918470 | 0.71 | — | — | |
| SCHEMBL2637870 | 0.69 | — | — | |
| SCHEMBL25071313 | 0.69 | — | — | |
| SCHEMBL4947394 | 0.69 | — | — | |
| SCHEMBL1476358 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230265057-A1 | INHIBITORS OF PARG | ARASE THERAPEUTICS INC. | 2023-08-24 | — | — | US | disclosed |
| US-20230265057-A1 | INHIBITORS OF PARG | ARASE THERAPEUTICS INC. | 2023-08-24 | — | — | US | disclosed |
| WO-2023098825-A1 | SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 勤浩医药（苏州）有限公司 | 2023-06-08 | — | — | WO | disclosed |
| WO-2021136354-A1 | BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2021-07-08 | — | — | WO | disclosed |
| WO-2020112700-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2020-06-04 | — | — | WO | disclosed |
| EP-2771334-A1 | DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES | Galderma Research & Development (FR) | 2014-09-03 | — | — | EP | disclosed |
| WO-2013061005-A1 | DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2013-05-02 | — | — | WO | disclosed |