⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL10344016 | 0.72 | — | — | |
| Isopropylamine SCHEMBL10538159 | 0.72 | MEN1 (0.43) | — | |
| Isopropylamine SCHEMBL10538150 | 0.72 | MEN1 (0.43) | — | |
| Isopropylamine SCHEMBL10538168 | 0.72 | MEN1 (0.43) | — | |
| SCHEMBL305514 | 0.71 | — | — | |
| Isopropylamine SCHEMBL30440281 | 0.71 | — | — | |
| Isopropylamine SCHEMBL2909 | 0.71 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.71 | — | — | |
| SCHEMBL28550757 | 0.70 | — | — | |
| Isopropylamine SCHEMBL8341815 | 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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160166604-A1 | Thiol-Sensitive Positive Inotropes | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2016-06-16 | — | — | US | claimed |
| US-8980871-B2 | Methods of treatment for hemolysis | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2015-03-17 | — | — | US | claimed |
| US-20100239692-A1 | METHODS OF TREATMENT FOR HEMOLYSIS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2010-09-23 | — | — | US | claimed |
| US-20090298795-A1 | Thiol-Sensitive Positive Inotropes | THE JOHNS HOPINS UNIVERSITY (US) | 2009-12-03 | — | — | US | claimed |
| EP-1909779-A1 | THIOL-SENSITIVE POSITIVE INOTROPES | Johns Hopkins University (US) | 2008-04-16 | — | — | EP | claimed |
| WO-2007002444-A1 | THIOL-SENSITIVE POSITIVE INOTROPES | JOHNS HOPKINS UNIVERSITY (US) | 2007-01-04 | — | — | WO | claimed |
| EP-4034119-A1 | NOVEL METHODS | Intra-Cellular Therapies, Inc. (US) | 2022-08-03 | — | — | EP | disclosed |
| WO-2021062307-A1 | NOVEL METHODS | INTRA-CELLULAR THERAPIES, INC. (US) | 2021-04-01 | — | — | WO | disclosed |
| US-20160166604-A1 | Thiol-Sensitive Positive Inotropes | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2016-06-16 | — | — | US | disclosed |
| US-8980871-B2 | Methods of treatment for hemolysis | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2015-03-17 | — | — | US | disclosed |
| US-20100239692-A1 | METHODS OF TREATMENT FOR HEMOLYSIS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2010-09-23 | — | — | US | disclosed |
| US-20090298795-A1 | Thiol-Sensitive Positive Inotropes | THE JOHNS HOPINS UNIVERSITY (US) | 2009-12-03 | — | — | US | disclosed |
| WO-2009038796-A1 | METHODS OF TREATMENT FOR HEMOLYSIS | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2009-03-26 | — | — | WO | disclosed |
| EP-1909779-A1 | THIOL-SENSITIVE POSITIVE INOTROPES | Johns Hopkins University (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007002444-A1 | THIOL-SENSITIVE POSITIVE INOTROPES | JOHNS HOPKINS UNIVERSITY (US) | 2007-01-04 | — | — | WO | disclosed |