⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3203161 | 0.81 | — | — | |
| SCHEMBL71836 | 0.78 | — | — | |
| Bromide SCHEMBL6622782 | 0.73 | — | — | |
| SCHEMBL3106063 | 0.73 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL457944 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8308716 | 0.73 | — | — | |
| SCHEMBL239429 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL17981698 | 0.70 | — | — | |
| SCHEMBL986591 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL30536202 | 0.70 | ALDH1A1 (0.41) | — |
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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112204028-B | tetrahydro-1H-pyrazino [2,1-a ] isoindoloquinoline compounds for use in the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2023-12-29 | — | — | CN | claimed |
| EP-3802539-B1 | TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN LA ROCHE (CH) | 2023-09-20 | — | — | EP | claimed |
| US-20230219959-A1 | HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2023-07-13 | — | — | US | claimed |
| US-20230041743-A1 | 1,8-NAPHTHYRIDIN-2-ONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2023-02-09 | — | — | US | claimed |
| EP-4065586-A1 | 1,8-NAPHTHYRIDIN-2-ONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2022-10-05 | — | — | EP | claimed |
| CN-114728976-A | HYDRO-1H-PYRROLO [1,2-A ] PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISORDERS | 豪夫迈·罗氏有限公司 | 2022-07-08 | — | — | CN | claimed |
| CN-114728987-A | 1, 8-naphthyridin-2-one compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2022-07-08 | — | — | CN | claimed |
| US-20220112187-A1 | PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2022-04-14 | — | — | US | claimed |
| US-20210253575-A1 | PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2021-08-19 | — | — | US | claimed |
| EP-3849974-A1 | PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-07-21 | — | — | EP | 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 |
| US-6849734-B2 | Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2005-02-01 | — | — | US | claimed |
| US-20040059114-A1 | Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2004-03-25 | — | — | US | claimed |
| EP-0888351-B1 | PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | THOMAE GMBH DR K (DE) | 2003-10-15 | — | — | EP | claimed |
| US-5821240-A | ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS | DR. KARL THOMAE GMBH (DE) | 1998-10-13 | — | — | US | claimed |