⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16877691 | 0.70 | — | — | |
| SCHEMBL18207922 | 0.70 | — | — | |
| SCHEMBL16877373 | 0.70 | — | — | |
| SCHEMBL16878437 | 0.68 | — | — | |
| SCHEMBL16877900 | 0.68 | CHRM2 (0.32) | — | |
| SCHEMBL16878021 | 0.67 | — | — | |
| SCHEMBL10972752 | 0.64 | — | — | |
| SCHEMBL19459202 | 0.58 | — | — | |
| SCHEMBL2276595 | 0.58 | — | — | |
| SCHEMBL31174171 | 0.58 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040235023-A1 | Parallel combinatorial approach to the discovery and optimization of catalysts and uses thereof | JACOBSEN ERIC N (US) | 2004-11-25 | — | — | US | disclosed |
| US-6709824-B2 | SCREENING SAMPLE FOR CATALYST; GENERATE LIBRARY OF CATALYST, SCREEN LIBRARY, RECOVER CATALYST | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2004-03-23 | — | — | US | disclosed |
| US-6489093-B1 | THE PRESENT INVENTION PROVIDES METHODS AND COMPOSITIONS, I.E. SYNTHETIC LIBRARIES OF BINDING MOITIES, FOR METAL ATOM OR TO NON-METAL IONS, E.G., CATIONIC OR ANIONIC MOLECULES. | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-12-03 | — | — | US | disclosed |
| US-20020102612-A1 | Parallel combinatorial approach to the discovery and optimization of catalysts and uses thereof | JACOBSEN ERIC N (US) | 2002-08-01 | — | — | US | disclosed |
| US-6316616-B1 | USED AS CATALYST TO CATALYZE A CHEMOSELECTIVE, REGIOSELECTIVE, STEREOSELECTIVE OR ENANTIOSELECTIVE TRANSFORMATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2001-11-13 | — | — | US | disclosed |
| US-6201156-B1 | REACTING AN ETHER WITH NITROGEN MONOXIDE IN THE PRESENCE OF A CATALYST BEING COMPOSED OF AN IMIDE COMPOUND | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-03-13 | — | — | US | disclosed |
| EP-1066228-A1 | PARALLEL COMBINATORIAL APPROACH TO THE DISCOVERY AND OPTIMIZATION OF CATALYSTS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2001-01-10 | — | — | EP | disclosed |
| US-6037477-A | CONTACTING AN ETHER WITH OXYGEN IN THE PRESENCE OF AN OXIDATION CATALYST TO PRODUCE ESTER OR ANHYDRIDE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2000-03-14 | — | — | US | disclosed |
| WO-1999051546-A9 | PARALLEL COMBINATORIAL APPROACH TO THE DISCOVERY AND OPTIMIZATION OF CATALYSTS AND USES THEREOF | HARVARD COLLEGE (US) | 1999-11-18 | — | — | WO | disclosed |
| WO-1999051546-A1 | PARALLEL COMBINATORIAL APPROACH TO THE DISCOVERY AND OPTIMIZATION OF CATALYSTS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1999-10-14 | — | — | WO | disclosed |
| EP-0878458-A1 | Oxidation process of ethers | Daicel Chemical Industries, Ltd. (JP) | 1998-11-18 | — | — | EP | disclosed |
| WO-1998012156-A1 | COMBINATORIAL APPROACH FOR GENERATING NOVEL COORDINATION COMPLEXES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1998-03-26 | — | — | WO | disclosed |