⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL660325 | 0.60 | — | — | |
| SCHEMBL28523954 | 0.60 | — | — | |
| SCHEMBL29061272 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL784622 | 0.58 | — | — | |
| SCHEMBL29290128 | 0.58 | — | — | |
| SCHEMBL21111121 | 0.58 | ALDH1A1 (0.68) | — | |
| SCHEMBL21111119 | 0.58 | ALDH1A1 (1.00) | — | |
| SCHEMBL828913 | 0.58 | — | — | |
| SCHEMBL2228169 | 0.58 | — | — | |
| Water SCHEMBL6394633 | 0.56 | — | — |
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 325 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2091926-B1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2015-10-21 | — | — | EP | claimed |
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | claimed |
| EP-2331503-B1 | 4-PHENOXYMETHYLPIPERIDINES AS MODULATORS OF GPR119 ACTIVITY | IRM LLC (BM) | 2013-08-21 | — | — | EP | claimed |
| EP-1765789-B1 | N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER | NOVARTIS AG (CH) | 2013-02-27 | — | — | EP | claimed |
| US-20130017196-A1 | SUBSTITUTED IMIDAZOLE DERIVATIVES | CHIRON CORPORATION | 2013-01-17 | — | — | US | claimed |
| US-8334288-B2 | 4-phenoxymethylpiperidines as modulators of GPR119 activity | IRM LLC (BM) | 2012-12-18 | — | — | US | claimed |
| US-8318791-B2 | Substituted imidazole derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2012-11-27 | — | — | US | claimed |
| US-8183351-B2 | Avermectin derivatives | BAYER CROPSCIENCE AG (DE) | 2012-05-22 | — | — | US | claimed |
| US-8129358-B2 | Substituted pyrazole and triazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | claimed |
| JP-4836280-B2 | — | — | 2011-12-14 | — | — | JP | claimed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | claimed |
| EP-1418912-A2 | ISOXAZOLOPYRIDINONES | Novartis AG (CH) | 2004-05-19 | — | — | EP | claimed |
| WO-2003097617-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-27 | — | — | WO | claimed |
| WO-2003015780-A2 | ISOXAZOLOPYRIDINONES AND USE THEREOF IN THE TREATMENT OF PARKINSON'S DISEASE | NOVARTIS AG (CH) | 2003-02-27 | — | — | WO | claimed |
| US-5561228-A | IMMUNOSUPPRESSNATS; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1996-10-01 | — | — | US | claimed |
| EP-0113245-A2 | Cephalosporin derivatives | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1984-07-11 | — | — | EP | claimed |
| US-4302391-A | Unsymmetrical azetidinone aldehyde disulfides and process | ELI LILLY AND COMPANY (US) | 1981-11-24 | — | — | US | claimed |
| US-4293495-A | Symmetrical azetidinone aldehyde disulfides and process | ELI LILLY AND COMPANY (US) | 1981-10-06 | — | — | US | claimed |
| US-4293493-A | Azetidinone alcohol disulfides and process for cyclization | ELI LILLY AND COMPANY (US) | 1981-10-06 | — | — | US | claimed |
| US-4008231-A | Preparation of 3-methoxymethylcephalosporins | ELI LILLY AND COMPANY (US) | 1977-02-15 | — | — | US | claimed |