⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31327923 | 0.86 | CA2 (0.31) | — | |
| SCHEMBL15159603 | 0.80 | — | — | |
| Propylamine SCHEMBL18588043 | 0.79 | DNM1 (0.35) | — | |
| SCHEMBL42070 | 0.76 | — | — | |
| SCHEMBL4209322 | 0.76 | — | — | |
| SCHEMBL5932266 | 0.76 | — | — | |
| SCHEMBL1473265 | 0.76 | — | — | |
| SCHEMBL11028788 | 0.76 | CA2 (0.52) | — | |
| SCHEMBL11029898 | 0.76 | CA2 (0.52) | — | |
| SCHEMBL11030842 | 0.76 | CA2 (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016153948-A1 | COMBINATION THERAPY USING ENANTIOPURE, OXY-SUBSTITUTED, DEUTERIUM-ENRICHED 5-(BENZYL)-5-DEUTERO-THIAZOLIDINE-2, 4-DIONES FOR TREATMENT OF MEDICAL DISORDERS | DEUTERX, LLC (US) | 2016-09-29 | — | — | WO | disclosed |
| EP-2257548-B1 | THERAPEUTIC COMPOUNDS | ALLERGAN INC (US) | 2012-12-26 | — | — | EP | disclosed |
| EP-1919913-A2 | P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007023110-A2 | P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-01 | — | — | WO | disclosed |
| EP-0882715-B1 | NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES | KUREHA CHEMICAL IND CO LTD (JP) | 2003-04-23 | — | — | EP | disclosed |
| US-6339045-B1 | CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2002-01-15 | — | — | US | disclosed |
| EP-0882715-A1 | NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-12-09 | — | — | EP | disclosed |
| US-4465687-A | ANTIARTHRITIC AGENT, ENZYME INHIBITOR | MERCK & CO., INC. (US) | 1984-08-14 | — | — | US | disclosed |
| US-4428960-A | AMINO ACID DERIVATIVE ANTIBIOTICS | MERCK & CO., INC. (US) | 1984-01-31 | — | — | US | disclosed |
| US-4388310-A | ANTIBIOTIC | MERCK & CO., INC. (US) | 1983-06-14 | — | — | US | disclosed |
| US-4374849-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1983-02-22 | — | — | US | disclosed |
| US-4298741-A | DETHIAPENICILLIN ANTIBIOTICS | MERCK & CO., INC. (US) | 1981-11-03 | — | — | US | disclosed |