⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31467962 | 0.79 | LTB4R (0.30) | — | |
| SCHEMBL2557376 | 0.78 | SLC6A4 (0.37) | — | |
| SCHEMBL2046838 | 0.76 | — | — | |
| SCHEMBL21962702 | 0.76 | — | — | |
| SCHEMBL1822842 | 0.76 | — | — | |
| SCHEMBL28617044 | 0.73 | — | — | |
| SCHEMBL29953784 | 0.72 | PYCR1 (0.35) | — | |
| SCHEMBL4090533 | 0.72 | ADH1B (0.36) | — | |
| SCHEMBL1822399 | 0.72 | DAO (0.36) | — | |
| SCHEMBL29132418 | 0.72 | MGMT (0.38) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |
| WO-2022251497-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2022-12-01 | — | — | WO | disclosed |
| EP-3551625-A1 | HETEROCYCLIC INHIBITORS OF MCT4 | Vettore, LLC (US) | 2019-10-16 | — | — | EP | disclosed |
| WO-2018111904-A1 | HETEROCYCLIC INHIBITORS OF MCT4 | Vettore, LLC (US) | 2018-06-21 | — | — | WO | disclosed |
| EP-2079722-B1 | SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME | GENFIT (FR) | 2015-06-17 | — | — | EP | disclosed |
| EP-2836495-A1 | TETRAHYDROPYRROLOTHIAZINE COMPOUNDS | Eli Lilly and Company (US) | 2015-02-18 | — | — | EP | disclosed |
| EP-2827857-A1 | SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF | Elan Pharmaceuticals Inc. (US) | 2015-01-28 | — | — | EP | disclosed |
| WO-2013151832-A1 | TETRAHYDROPYRROLOTHIAZINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2013-10-10 | — | — | WO | disclosed |
| WO-2013142613-A1 | SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF | ELAN PHARMACEUTICALS, INC. (US) | 2013-09-26 | — | — | WO | disclosed |
| EP-2516423-A1 | THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI | Bayer CropScience AG (DE) | 2012-10-31 | — | — | EP | disclosed |
| US-8088819-B2 | Derivatives of substituted 3-phenyl-1-(phenylthienyl)propan-1-ones and of 3-phenyl-1-(phenylfuranyl) propan-1-ones, preparation and use | GENFIT (FR) | 2012-01-03 | — | — | US | disclosed |
| WO-2011076725-A1 | THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI | BAYER CROPSCIENCE AG (DE) | 2011-06-30 | — | — | WO | disclosed |
| US-20100029745-A1 | DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE | GENFIT (FR) | 2010-02-04 | — | — | US | disclosed |
| EP-2079722-A2 | SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME | Genfit (FR) | 2009-07-22 | — | — | EP | disclosed |
| EP-1948647-A1 | PYRIMIDINYL-THIOPHENE KINASE MODULATORS | SGX Pharmaceuticals, Inc. (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2008087366-A2 | SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME | GENFIT (FR) | 2008-07-24 | — | — | WO | disclosed |
| WO-2007053776-A1 | PYRIMIDINYL-THIOPHENE KINASE MODULATORS | SGX PHARMACEUTICALS, INC. (US) | 2007-05-10 | — | — | WO | disclosed |
| EP-1648905-A1 | THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS | Abbott Laboratories (US) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005010009-A1 | THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2005-02-03 | — | — | WO | disclosed |