⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20404133 | 1.00 | — | — | |
| SCHEMBL14281104 | 1.00 | — | — | |
| SCHEMBL23486870 | 0.76 | — | — | |
| SCHEMBL14437191 | 0.76 | — | — | |
| SCHEMBL1795638 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28486557 | 0.71 | — | — | |
| SCHEMBL241578 | 0.69 | — | — | |
| SCHEMBL2354321 | 0.69 | — | — | |
| SCHEMBL241577 | 0.69 | — | — | |
| SCHEMBL3987451 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009105668-A1 | BICYCLIC GUANIDINES, METAL COMPLEXES THEREOF AND THEIR USE IN VAPOR DEPOSITION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-08-27 | — | — | WO | claimed |
| US-20190352268-A1 | CANNABINOID RECEPTOR MEDIATING COMPOUNDS | THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2019-11-21 | — | — | US | disclosed |
| US-9874575-B2 | Analysis of estradiol and analytes with phenolic OH using labeling chemistry and LC-MSMS workflow | DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) | 2018-01-23 | — | — | US | disclosed |
| US-20150051111-A1 | ANALYSIS OF ESTRADIOL AND ANALYTES WITH PHENOLIC OH USING LABELING CHEMISTRY AND LC-MSMS WORKFLOW | DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) | 2015-02-19 | — | — | US | disclosed |
| US-20120035198-A1 | Antiviral Compounds and Methods of Using Thereof | AMAN MOHAMMAD JAVAD (US) | 2012-02-09 | — | — | US | disclosed |
| US-7999001-B2 | Antiviral compounds and methods of using thereof | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2011-08-16 | — | — | US | disclosed |
| US-20110086877-A1 | Small Molecule Inhibitors of Botulinum Neurotoxins | BAVARI SINA | 2011-04-14 | — | — | US | disclosed |