⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10063831 | 0.79 | — | — | |
| SCHEMBL2902104 | 0.75 | — | — | |
| SCHEMBL19101383 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL13458323 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL9344793 | 0.73 | — | — | |
| SCHEMBL13447352 | 0.73 | — | — | |
| SCHEMBL1975714 | 0.71 | — | — | |
| SCHEMBL4572698 | 0.71 | — | — | |
| SCHEMBL10222591 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL726179 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8822732-B2 | 1,5-diphenyl-penta-1,4-dien-3-one compounds | ANDROSCIENCE CORPORATION (US) | 2014-09-02 | — | — | US | disclosed |
| US-8383822-B2 | Substituted oxazolidinones and their use | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-02-26 | — | — | US | disclosed |
| WO-2012024282-A2 | 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS | SHIH CHARLES C-Y (US) | 2012-02-23 | — | — | WO | disclosed |
| US-20120046247-A1 | 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS | ALLIANZ PHARMASCIENCE LTD. (TW) | 2012-02-23 | — | — | US | disclosed |
| US-20100184740-A1 | SUBSTITUTED OXAZOLIDINONES AND THEIR USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-07-22 | — | — | US | disclosed |
| US-7696199-B2 | Sigma receptor inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-04-13 | — | — | US | disclosed |
| WO-2009155052-A1 | 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2009-12-23 | — | — | WO | disclosed |
| US-20080125416-A1 | Sigma Receptor Inhibitors | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2008-05-29 | — | — | US | disclosed |
| WO-2006103559-A1 | TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC (US) | 2006-10-05 | — | — | WO | disclosed |