⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4629701 | 0.78 | TRPA1 (0.31) | — | |
| SCHEMBL28241580 | 0.74 | — | — | |
| SCHEMBL6823153 | 0.73 | — | — | |
| SCHEMBL5308018 | 0.72 | — | — | |
| SCHEMBL7454166 | 0.69 | — | — | |
| SCHEMBL28176271 | 0.69 | — | — | |
| SCHEMBL2998900 | 0.69 | — | — | |
| SCHEMBL10404400 | 0.69 | — | — | |
| SCHEMBL14198886 | 0.67 | — | — | |
| SCHEMBL34464977 | 0.67 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2435410-B1 | LXR MODULATORS | EXELIXIS PATENT CO LLC (US) | 2017-01-18 | — | — | EP | disclosed |
| US-8338473-B2 | Derivatives of psammaplin A, a method for their synthesis and their uses for the prevention or treatment of cancer | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-12-25 | — | — | US | disclosed |
| US-20110306637-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-15 | — | — | US | disclosed |
| US-7977322-B2 | Such as 1-Benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid [5-(2-methoxy-pyridin-3-ylmethyl)-thiazol-2-yl]-amide 5-(2-Methoxy-pyridin-3-ylmethyl)-thiazol-2-ylamine; cystic fibrosis transmembrane conductance regulator disorders | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-12 | — | — | US | disclosed |
| US-20100221251-A1 | Compositions and Methods for Treatment of Cancer | ARQULE, INC. (US) | 2010-09-02 | — | — | US | disclosed |
| US-20100120885-A1 | Novel Derivatives of Psammaplin A, A Method For Their Synthesis And Their Uses For The Prevention Or Treatment Of Cancer | RADBOUND UNIVERSITY NIJMEGEN (NL) | 2010-05-13 | — | — | US | disclosed |
| US-7459558-B2 | Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2008-12-02 | — | — | US | disclosed |
| EP-1966222-A2 | PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS | SGX Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| US-20080176899-A1 | Modulators of ATP-Binding Cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2008-07-24 | — | — | US | disclosed |
| WO-2008051942-A2 | FARNESOID X RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-05-02 | — | — | WO | disclosed |
| US-20070173488-A1 | Pyrazolothiazole Protein Kinase Modulators | SGX PHARMACEUTICALS, INC. (US) | 2007-07-26 | — | — | US | disclosed |
| WO-2007059341-A2 | PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS | SGX PHARMACEUTICALS, INC. (US) | 2007-05-24 | — | — | WO | disclosed |
| WO-2005061505-A1 | BICYCLIC IMIDAZOLYL PYRIMIDIN-4-ONE CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | PFIZER PRODUCTS INC. (US) | 2005-07-07 | — | — | WO | disclosed |
| US-4914206-A | ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-04-03 | — | — | US | disclosed |
| EP-0226896-A2 | Lankacidin derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1987-07-01 | — | — | EP | disclosed |