⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL622528 | 0.90 | — | — | |
| SCHEMBL752992 | 0.65 | — | — | |
| SCHEMBL27696073 | 0.62 | — | — | |
| SCHEMBL7124801 | 0.62 | — | — | |
| SCHEMBL21806726 | 0.60 | — | — | |
| SCHEMBL12927348 | 0.60 | — | — | |
| SCHEMBL597103 | 0.60 | — | — | |
| SCHEMBL1760849 | 0.58 | — | — | |
| SCHEMBL6240283 | 0.55 | ALDH1A1 (0.36) | — | |
| SCHEMBL3961837 | 0.55 | TSHR (0.42) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3861001-B1 | BORON CONTAINING PDE4 INHIBITORS | PFIZER (US) | 2023-12-13 | — | — | EP | claimed |
| WO-2023246854-A1 | CRYSTAL OF BORATE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF | 瑞石生物医药有限公司 | 2023-12-28 | — | — | WO | disclosed |
| WO-2023246858-A1 | PHARMACEUTICAL SALT OF BORATE DERIVATIVE, AND CRYSTALLIZATION FORM AND USE THEREOF | 瑞石生物医药有限公司 | 2023-12-28 | — | — | WO | disclosed |
| EP-4199902-A1 | STABLE TOPICAL FORMULATIONS OF 1(R)-4-(5-(4-METHOXY-3-PROPOXYPHENYL)PYRIDIN-3-YL)-1,2-OXABOROLAN-2-OL | Pfizer Inc. (US) | 2023-06-28 | — | — | EP | disclosed |
| EP-4199902-A1 | STABLE TOPICAL FORMULATIONS OF 1(R)-4-(5-(4-METHOXY-3-PROPOXYPHENYL)PYRIDIN-3-YL)-1,2-OXABOROLAN-2-OL | Pfizer Inc. (US) | 2023-06-28 | — | — | EP | disclosed |
| US-20230148402-A1 | Boron Containing PDE4 Inhibitors | PFIZER INC. (US) | 2023-05-11 | — | — | US | disclosed |
| US-11559538-B2 | Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors | PFIZER INC. (US) | 2023-01-24 | — | — | US | disclosed |
| WO-2022038485-A1 | STABLE TOPICAL FORMULATIONS OF 1(R)-4-(5-(4-METHOXY-3-PROPOXYPHENYL)PYRIDIN-3-YL)-1,2-OXABOROLAN-2-OL | PFIZER INC. (US) | 2022-02-24 | — | — | WO | disclosed |
| WO-2022038485-A1 | STABLE TOPICAL FORMULATIONS OF 1(R)-4-(5-(4-METHOXY-3-PROPOXYPHENYL)PYRIDIN-3-YL)-1,2-OXABOROLAN-2-OL | PFIZER INC. (US) | 2022-02-24 | — | — | WO | disclosed |
| EP-3861001-A1 | BORON CONTAINING PDE4 INHIBITORS | Pfizer Inc. (US) | 2021-08-11 | — | — | EP | disclosed |
| CN-113166177-A | Boron-containing PDE4 inhibitors | 辉瑞公司 | 2021-07-23 | — | — | CN | disclosed |
| US-10981939-B2 | Process for the preparation of 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl) oxy] benzonitrile (Crisaborole) | BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) | 2021-04-20 | — | — | US | disclosed |
| US-20210069219-A1 | Boron Containing PDE4 Inhibitors | PFIZER INC. (US) | 2021-03-11 | — | — | US | disclosed |
| WO-2021011873-A1 | BORON-CONTAINING RHO KINASE INHIBITORS | PERCIPIAD, INC. (US) | 2021-01-21 | — | — | WO | disclosed |
| WO-2020070651-A1 | BORON CONTAINING PDE4 INHIBITORS | PFIZER INC. (US) | 2020-04-09 | — | — | WO | disclosed |
| US-20200062785-A1 | NOVEL PROCESS FOR THE PREPARATION OF 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL) OXY] BENZONITRILE (CRISABOROLE) | BIOPHORE INDIA PHARMACEUTICALS PVT. LTD., (IN) | 2020-02-27 | — | — | US | disclosed |
| EP-1853251-A2 | BORON-CONTAINING SMALL MOLECULES | Anacor Pharmaceuticals, Inc. (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006089067-A2 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2006-08-24 | — | — | WO | disclosed |