⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18873295 | 1.00 | — | — | |
| SCHEMBL16174020 | 0.86 | — | — | |
| SCHEMBL10727596 | 0.83 | — | — | |
| SCHEMBL11845772 | 0.82 | — | — | |
| SCHEMBL16173997 | 0.78 | — | — | |
| SCHEMBL264006 | 0.77 | — | — | |
| SCHEMBL27701175 | 0.77 | GSR (0.31) | — | |
| SCHEMBL11484646 | 0.74 | ADH1C (0.30) | — | |
| SCHEMBL15241436 | 0.73 | — | — | |
| SCHEMBL11805137 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9676763-B2 | Method of treating Ebola | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-06-13 | — | — | US | disclosed |
| US-20160024066-A1 | Small Molecule Inhibitors of Ebola and Lassa Fever Viruses and Methods of Use | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. | 2016-01-28 | — | — | US | disclosed |
| US-9193705-B2 | Small molecule inhibitors of ebola and lassa fever viruses and methods of use | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-11-24 | — | — | US | disclosed |
| WO-2014075096-A1 | INHIBITORS OF CENTRAL NERVOUS SYSTEM VASOACTIVE INHIBITORY PEPTIDE RECEPTOR 2 | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-05-15 | — | — | WO | disclosed |
| US-20130231332-A1 | SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-09-05 | — | — | US | disclosed |
| WO-2012031090-A2 | SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-03-08 | — | — | WO | disclosed |
| US-3953488-A | Method for preparing aliphatic and cycloaliphatic isothiocyanates | OLIN CORPORATION (US) | 1976-04-27 | — | — | US | disclosed |