⚠ 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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL1479664 | 1.00 | — | — | |
| Piperidine SCHEMBL27665054 | 0.96 | — | — | |
| Pyrrolidine SCHEMBL3020399 | 0.96 | — | — | |
| SCHEMBL1287844 | 0.91 | ALDH1A1 (0.90) | — | |
| Piperidine SCHEMBL11714957 | 0.87 | — | — | |
| Piperidine SCHEMBL10008663 | 0.87 | ALDH1A1 (0.82) | — | |
| Azetidine SCHEMBL791367 | 0.87 | — | — | |
| Piperidine SCHEMBL8435190 | 0.87 | ALDH1A1 (1.00) | — | |
| SCHEMBL3069642 | 0.87 | ALDH1A1 (1.00) | — | |
| SCHEMBL12068406 | 0.87 | ALDH1A1 (1.00) | — |
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 8 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-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-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-0279707-A2 | Aryloxymethyl derivatives of nitrogenous heterocyclic methanols and ethers thereof having cardiovascular activity | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-08-24 | — | — | EP | disclosed |