⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL969300 | 0.97 | — | — | |
| SCHEMBL4198 | 0.97 | — | — | |
| Fluoride SCHEMBL27461973 | 0.97 | — | — | |
| SCHEMBL4621927 | 0.97 | FABP6 (0.35) | — | |
| SCHEMBL80643 | 0.97 | — | — | |
| SCHEMBL7117843 | 0.94 | — | — | |
| Iodide SCHEMBL7938108 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1061350 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL2080171 | 0.94 | — | — | |
| SCHEMBL6678827 | 0.94 | — | — |
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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591272-B | Preparation method of intermediate compound used for synthesizing posaconazole and intermediate compound prepared by same | 浙江奥翔药业股份有限公司 | 2024-04-05 | — | — | CN | disclosed |
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| WO-2023173717-A1 | PREPARATION METHOD FOR INTERMEDIATE COMPOUND ACTING AS SYNTHETIC POSACONAZOLE, AND INTERMEDIATE COMPOUND PREPARED THEREBY | 浙江奥翔药业股份有限公司 | 2023-09-21 | — | — | WO | disclosed |
| CN-115448911-A | Preparation method of posaconazole intermediate | 成都海博为药业有限公司 | 2022-12-09 | — | — | CN | disclosed |
| CN-114591272-A | Preparation method of intermediate compound for synthesizing posaconazole and intermediate compound prepared by same | 浙江奥翔药业股份有限公司 | 2022-06-07 | — | — | CN | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |
| WO-2019077627-A1 | A PROCESS FOR THE MANUFACTURE OF POSACONAZOLE | METROCHEM API PVT LTD. (IN) | 2019-04-25 | — | — | WO | disclosed |
| US-10266560-B2 | Bile acid analogs as FXR/TGR5 agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2019-04-23 | — | — | US | disclosed |
| EP-2758385-B1 | PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF | MSN LAB LTD (IN) | 2018-03-28 | — | — | EP | disclosed |
| EP-3215179-A1 | BILE ACID ANALOGS AN FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | Enanta Pharmaceuticals, Inc. (US) | 2017-09-13 | — | — | EP | disclosed |
| EP-0934305-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-6211184-B1 | TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |
| EP-0973396-A4 | A METHOD OF TREATING CANCER | MERCK & CO INC (US) | 2001-02-07 | — | — | EP | disclosed |
| EP-0973396-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 2000-01-26 | — | — | EP | disclosed |
| US-5981546-A | Integrin antagonists | MERCK & CO., INC. (US) | 1999-11-09 | — | — | US | disclosed |
| EP-0934305-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998046220-A1 | COMBINATION THERAPY FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS | MERCK & CO., INC. (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1998044797-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1998-10-15 | — | — | WO | disclosed |
| WO-1998008840-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-03-05 | — | — | WO | disclosed |
| WO-1994006291-A1 | SOLID PHASE AND COMBINATORIAL SYNTHESIS OF COMPOUNDS ON A SOLID SUPPORT | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1994-03-31 | — | — | WO | disclosed |