⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL724366 | 0.91 | — | — | |
| Calcium Chloride SCHEMBL28240263 | 0.52 | — | — | |
| Calcium Chloride SCHEMBL23441478 | 0.52 | — | — | |
| Calcium Chloride SCHEMBL27726451 | 0.52 | — | — | |
| SCHEMBL11038922 | 0.51 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL8166345 | 0.48 | — | — | |
| Perchlorobenzene SCHEMBL28500147 | 0.47 | ALDH1A1 (0.46) | — | |
| Calcium Chloride SCHEMBL22207792 | 0.47 | — | — | |
| Lindane SCHEMBL3666042 | 0.47 | LMNA (0.83) | — | |
| Calcium Chloride SCHEMBL23002896 | 0.47 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080220441-A1 | Advanced drug development and manufacturing | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2008-09-11 | — | — | US | claimed |
| US-10877035-B2 | Advanced drug development and manufacturing | ICAGEN, LLC (US) | 2020-12-29 | — | — | US | disclosed |
| US-20180085355-A1 | Compositions and Methods for Inhibiting Bacterial Growth | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY | 2018-03-29 | — | — | US | disclosed |
| US-9493806-B2 | Enzymatic biosensing systems | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2016-11-15 | — | — | US | disclosed |
| US-20150309021-A1 | Advanced Drug Development and Manufacturing | LOS ALAMOS NATIONAL SECURITY, LLC | 2015-10-29 | — | — | US | disclosed |
| EP-2511844-B1 | X-ray microscope | XRPRO SCIENCES INC (US) | 2015-08-12 | — | — | EP | disclosed |
| US-20140235501-A1 | Enzymatic Biosensing Systems | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION | 2014-08-21 | — | — | US | disclosed |
| EP-2511844-A2 | Advanced drug development and manufacturing | Los Alamos National Security, LLC (US) | 2012-10-17 | — | — | EP | disclosed |
| EP-2084519-B1 | X-RAY FLUORESCENCE ANALYSIS METHOD | LOS ALAMOS NAT SECURITY LLC (US) | 2012-08-01 | — | — | EP | disclosed |
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |
| US-20080220441-A1 | Advanced drug development and manufacturing | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2008-09-11 | — | — | US | disclosed |
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |