⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127205 | 0.78 | — | — | |
| SCHEMBL828604 | 0.74 | — | — | |
| SCHEMBL129903 | 0.73 | — | — | |
| SCHEMBL305816 | 0.73 | — | — | |
| SCHEMBL955188 | 0.71 | CYP2C19 (0.34) | — | |
| SCHEMBL355528 | 0.71 | CYP2C19 (0.34) | — | |
| SCHEMBL23514874 | 0.71 | SLC6A4 (0.35) | — | |
| SCHEMBL9148315 | 0.71 | — | — | |
| SCHEMBL6062608 | 0.71 | CYP2C19 (0.34) | — | |
| SCHEMBL43020 | 0.71 | — | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3917915-A1 | 1,2,4-TRIAZIN-3(2H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | Bayer Aktiengesellschaft (DE) | 2021-12-08 | — | — | EP | claimed |
| US-20210353630-A1 | 1,2,4-TRIAZIN-3(2H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-11-18 | — | — | US | claimed |
| CN-113348165-A | 1,2, 4-triazin-3 (2H) -one compounds for the treatment of hyperproliferative diseases | 拜耳股份有限公司 | 2021-09-03 | — | — | CN | claimed |
| WO-2020157201-A1 | OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-06 | — | — | WO | claimed |
| WO-2020157189-A1 | 1,2,4-TRIAZIN-6(1H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-06 | — | — | WO | claimed |
| WO-2020157194-A1 | 1,2,4-TRIAZIN-3(2H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-06 | — | — | WO | claimed |
| JP-4796567-B2 | — | — | 2011-10-19 | — | — | JP | claimed |
| US-20100249114-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-30 | — | — | US | claimed |
| US-7700598-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-20 | — | — | US | claimed |
| US-7696195-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-13 | — | — | US | claimed |
| EP-1732917-B8 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2009-09-09 | — | — | EP | claimed |
| EP-1732917-B1 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2009-07-29 | — | — | EP | claimed |
| US-20090176770-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-07-09 | — | — | US | claimed |
| US-7479488-B2 | Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-01-20 | — | — | US | claimed |
| EP-1740577-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-10 | — | — | EP | claimed |
| EP-1732917-A1 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2006-12-20 | — | — | EP | claimed |
| US-20050256099-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-17 | — | — | US | claimed |
| WO-2005103037-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | claimed |
| US-20050234067-A1 | Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | US | claimed |
| WO-2005092880-A1 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-06 | — | — | WO | claimed |