⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2666331 | 0.75 | — | — | |
| SCHEMBL12922727 | 0.65 | — | — | |
| SCHEMBL11956821 | 0.65 | — | — | |
| SCHEMBL10296458 | 0.61 | — | — | |
| SCHEMBL14237646 | 0.59 | — | — | |
| SCHEMBL9926415 | 0.58 | — | — | |
| SCHEMBL11891519 | 0.55 | — | — | |
| SCHEMBL824748 | 0.52 | — | — | |
| SCHEMBL7703054 | 0.52 | — | — | |
| SCHEMBL791698 | 0.52 | — | — |
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 81 patents — showing the first 20. 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 |
| EP-3143026-B1 | COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS | NOVARTIS AG (CH) | 2024-07-10 | — | — | EP | disclosed |
| US-11840521-B2 | Modulators of Mas-related G-protein receptor X4 and related products and methods | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-12-12 | — | — | US | disclosed |
| US-20230159474-A1 | MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS | INCYTE CORPORATION | 2023-05-25 | — | — | US | disclosed |
| US-11643399-B2 | Modulators of mas-related G-protein receptor X4 and related products and methods | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-05-09 | — | — | US | disclosed |
| WO-2022078356-A1 | HETEROAROMATIC AHR INHIBITOR | 山东轩竹医药科技有限公司 | 2022-04-21 | — | — | WO | disclosed |
| WO-2021126995-A1 | METHODS AND COMPOSITIONS FOR TREATING CANCER | ENGINE BIOSCIENCES PTE. LTD. (SG) | 2021-06-24 | — | — | WO | disclosed |
| EP-3786290-A1 | PEPTIDES AND METHODS FOR THE CARBON-CARBON BOND FORMATION | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2021-03-03 | — | — | EP | disclosed |
| WO-2020120994-A1 | OREXIN 1 RECEPTOR ANTAGONISTS | HEPTARES THERAPEUTICS LIMITED (GB) | 2020-06-18 | — | — | WO | disclosed |
| US-20070191312-A1 | NOVEL HETEROCYCLIC COMPOUNDS, PREPARATION PROCESS AND INTERMEDIATES, AND USE AS MEDICAMENTS, IN PARTICULAR AS BETA-LACTAMASE INHIBITORS AND ANTIBACTERIALS | MUSICKI BRANISLAV | 2007-08-16 | — | — | US | disclosed |
| US-20070049495-A1 | Ethylene derivatives and pesticides containing said derivatives | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2007-03-01 | — | — | US | 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-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 |
| CN-1091288-A | The oxytocin antagonist | OTSUKA PHARMA CO LTD (JP) | 1994-08-31 | — | — | CN | disclosed |