⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9011719 | 0.97 | EPHX1 (0.68) | — | |
| SCHEMBL31262900 | 0.91 | EPHX1 (0.79) | — | |
| SCHEMBL1088601 | 0.87 | EPHX1 (0.94) | — | |
| SCHEMBL635367 | 0.84 | EPHX1 (1.00) | — | |
| SCHEMBL8744450 | 0.76 | EPHX1 (0.52) | — | |
| SCHEMBL5624040 | 0.73 | EPHX1 (0.43) | — | |
| SCHEMBL13494564 | 0.71 | — | — | |
| SCHEMBL8230638 | 0.69 | — | — | |
| SCHEMBL2521432 | 0.69 | — | — | |
| SCHEMBL2521429 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9181253-B2 | Adenosine receptor agonists, partial agonists, and antagonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2015-11-10 | — | — | US | disclosed |
| EP-2225227-B1 | 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists | BOEHRINGER INGELHEIM INT (DE) | 2015-08-26 | — | — | EP | disclosed |
| US-20120252823-A1 | ADENOSINE RECEPTOR AGONISTS, PARTIAL AGONISTS, AND ANTAGONISTS | SERVICES (US) | 2012-10-04 | — | — | US | disclosed |
| US-8110575-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-07 | — | — | US | disclosed |
| US-20110021500-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-01-27 | — | — | US | disclosed |
| EP-2251339-A2 | COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2010-11-17 | — | — | EP | disclosed |
| EP-2225227-A2 | COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009065920-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | WO | disclosed |
| EP-0488897-A1 | New guanidine derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1992-06-03 | — | — | EP | disclosed |