⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL613348 | 1.00 | — | — | |
| Hydrogen Sulfide SCHEMBL5678752 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL354382 | 0.96 | — | — | |
| SCHEMBL8050124 | 0.96 | — | — | |
| SCHEMBL23655465 | 0.89 | KDM4E (0.36) | — | |
| SCHEMBL8052471 | 0.87 | KDM4E (0.35) | — | |
| SCHEMBL2289717 | 0.85 | — | — | |
| SCHEMBL597791 | 0.85 | — | — | |
| SCHEMBL22641360 | 0.84 | KDM4E (0.33) | — | |
| SCHEMBL16119813 | 0.84 | KDM4E (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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441718-B1 | USE OF CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION | ENDO PHARMACEUTICALS INC (US) | 2006-07-12 | — | — | EP | disclosed |
| EP-1441718-A4 | CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION | ENDO PHARMACEUTICALS INC (US) | 2005-08-17 | — | — | EP | 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 |
| US-20050026956-A1 | 3-Aryl-3-pyrrolidinemethanol, 4-aryl-4-piperidinemethanol, or 4-aryl-4-azepinemethanol derivatives; 4-(3-thienyl)- alpha , alpha ,1,1-trimethyl-4-piperidinemethanol; tumors, diabetes, arthritis; autoimmune, genetic, demyelination, and rheumatic disorders; antiinflammatory agents | ENDO PHARMACEUTICALS, INC., A DELAWARE CORPORATION (US) | 2005-02-03 | — | — | US | disclosed |
| US-6825217-B2 | HETEROCYCLIC AMINES SUCH AS 4-(3'-THIENYL)-ALPHA, ALPHA, 1-TRIMETHYL-4-PIPERIDINEMETHANOL AND/OR PRODRUGS, USED AS ANALGESICS FOR PROPHYLAXIS OF NEUROPATHIC PAIN | ENDO PHARMACEUTICALS, INC. | 2004-11-30 | — | — | US | disclosed |
| EP-1441718-A2 | CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION | Endo Pharmaceuticals Inc. (US) | 2004-08-04 | — | — | EP | disclosed |
| US-20040110803-A1 | Methods and compositions for the use of D-malic acid to decrease serum triglyceride, cholesterol and lipoprotein levels | SAMFORD UNIVERSITY | 2004-06-10 | — | — | US | disclosed |
| WO-2004024094-A2 | METHODS AND COMPOSITONS FOR THE USE OF D-MALIC ACID TO DECREASE SERUM TRIGLYCERIDE, CHOLESTEROL, AND LIPOPROTEIN LEVELS | SAMFORD UNIVERSITY (US) | 2004-03-25 | — | — | WO | disclosed |
| US-20030162811-A1 | Carbinols for the treatment of neuropathic dysfunction | ENDO PHARMACEUTICALS INC. | 2003-08-28 | — | — | US | disclosed |
| WO-2003032910-A2 | CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION | ENDO PHARMACEUTICALS INC. (US) | 2003-04-24 | — | — | WO | 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 |