⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1075621 | 0.94 | EPHX1 (0.45) | — | |
| SCHEMBL27595229 | 0.92 | EPHX1 (0.48) | — | |
| SCHEMBL10956633 | 0.92 | EPHX1 (0.48) | — | |
| SCHEMBL4241016 | 0.92 | EPHX1 (0.48) | — | |
| SCHEMBL3384746 | 0.92 | EPHX1 (0.48) | — | |
| SCHEMBL9662231 | 0.92 | EPHX1 (0.48) | — | |
| SCHEMBL6469572 | 0.86 | — | — | |
| SCHEMBL6903472 | 0.86 | ARG1 (0.33) | — | |
| SCHEMBL6899828 | 0.84 | ARG1 (0.33) | — | |
| SCHEMBL6908298 | 0.84 | ARG1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102573474-A | Isoform selective phospholipase D inhibitors | UNIV VANDERBILT | 2012-07-11 | — | — | CN | disclosed |
| WO-2010018177-A1 | REACTION PRODUCTS OF OXAZOLIDINE DERIVATIVES AND OF BISOXAZOLIDINE DERIVATIVES, IN PARTICULAR WITH DERIVATIVES OF HYDROXYAROMATICS AND OF NITROGEN-CONTAINING COMPOUNDS, SUCH AS AMINOTRIAZINES | BOREALIS AGROLINZ MELAMINE GMBH (AT) | 2010-02-18 | — | — | WO | disclosed |
| US-4139535-A | ADRENERGIC BLOCKING AGENTS, VASODILATORS, HYPTOENSIVE | MERCK & CO., INC. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4096151-A | VASODILATORS, HYPOTENSIVE, B-ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1978-06-20 | — | — | US | disclosed |
| US-4002637-A | CHEMICAL INTERMEDIATES, ADHESION MODIFIERS | ROHM AND HAAS COMPANY (US) | 1977-01-11 | — | — | US | disclosed |
| US-4000282-A | HYPOTENSIVES, ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1976-12-28 | — | — | US | disclosed |