⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL288510 | 0.82 | SLC22A6 (0.50) | — | |
| SCHEMBL28799207 | 0.79 | SLC22A6 (0.47) | — | |
| Hydrochloric Acid SCHEMBL7372643 | 0.79 | SLC22A6 (0.47) | — | |
| SCHEMBL6734053 | 0.79 | SLC22A6 (0.47) | — | |
| SCHEMBL5006081 | 0.79 | — | — | |
| SCHEMBL5006078 | 0.79 | — | — | |
| SCHEMBL5006079 | 0.79 | — | — | |
| SCHEMBL1043083 | 0.78 | — | — | |
| SCHEMBL288980 | 0.74 | — | — | |
| SCHEMBL6666416 | 0.74 | ENPEP (0.46) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050171028-A1 | Thioketals and thioethers for inhibiting the expression of VCAM-1 | ATHEROGENICS PHARMACEUTICALS, INC. | 2005-08-04 | — | — | US | claimed |
| EP-1289944-A2 | THIOKETALS AND THIOETHERS FOR INHIBITING THE EXPRESSION OF VCAM-1 | Atherogenics, Inc. (US) | 2003-03-12 | — | — | EP | claimed |
| US-20020016300-A1 | Thioketals and thioethers for inhibiting the expression of VCAM-1 | CRABTREE ACQUISITION CO, LLC | 2002-02-07 | — | — | US | claimed |
| WO-2001070757-A2 | THIOKETALS AND THIOETHERS FOR INHIBITING THE EXPRESSION OF VCAM-1 | ATHEROGENICS, INC. (US) | 2001-09-27 | — | — | WO | claimed |
| WO-2023227708-A1 | BIOBASED LARVICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2023-11-30 | — | — | WO | disclosed |
| US-20210315221-A1 | USE OF A CATIONIC POLYSACCHARIDE COMPOUND AS A FUNGICIDE, PESTICIDE, ALGAECIDE, DESSICANT AND FOR EXTENDING THE SHELF LIFE OF FRUITS AND VEGETABLES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-10-14 | — | — | US | disclosed |
| EP-3829305-A1 | USE OF A CATIONIC POLYSACCHARIDE COMPOUND AS A FUNGICIDE, PESTICIDE, ALGAECIDE, DESSICANT AND FOR EXTENDING THE SHELF LIFE OF FRUITS AND VEGETABLES | Bayer Aktiengesellschaft (DE) | 2021-06-09 | — | — | EP | disclosed |
| WO-2020025592-A1 | USE OF A CATIONIC POLYSACCHARIDE COMPOUND AS A FUNGICIDE, PESTICIDE, ALGAECIDE, DESSICANT AND FOR EXTENDING THE SHELF LIFE OF FRUITS AND VEGETABLES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-02-06 | — | — | WO | disclosed |
| US-20050171028-A1 | Thioketals and thioethers for inhibiting the expression of VCAM-1 | ATHEROGENICS PHARMACEUTICALS, INC. | 2005-08-04 | — | — | US | disclosed |
| US-6852878-B2 | Thioketals and thioethers for inhibiting the expression of VCAM-1 | ATHEROGENICS, INC. (US) | 2005-02-08 | — | — | US | disclosed |
| EP-1289944-A2 | THIOKETALS AND THIOETHERS FOR INHIBITING THE EXPRESSION OF VCAM-1 | Atherogenics, Inc. (US) | 2003-03-12 | — | — | EP | disclosed |
| US-20020082399-A1 | FRUCTAN DERIVATIVES | COOPERATIE COSUN U.A. (NL) | 2002-06-27 | — | — | US | disclosed |
| US-20020016300-A1 | Thioketals and thioethers for inhibiting the expression of VCAM-1 | CRABTREE ACQUISITION CO, LLC | 2002-02-07 | — | — | US | disclosed |
| WO-2001070757-A2 | THIOKETALS AND THIOETHERS FOR INHIBITING THE EXPRESSION OF VCAM-1 | ATHEROGENICS, INC. (US) | 2001-09-27 | — | — | WO | disclosed |
| EP-0918800-A1 | FRUCTAN DERIVATIVES | Coöperatie Cosun U.A. (NL) | 1999-06-02 | — | — | EP | disclosed |
| WO-1998014482-A1 | FRUCTAN DERIVATIVES | Coöperatie Cosun U.A. (NL) | 1998-04-09 | — | — | WO | disclosed |