⚠ 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 SCHEMBL18396734 | 0.96 | — | — | |
| SCHEMBL12100700 | 0.93 | — | — | |
| SCHEMBL12882833 | 0.93 | CXCR4 (0.41) | — | |
| SCHEMBL138572 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL1870653 | 0.90 | — | — | |
| SCHEMBL15355221 | 0.90 | CXCR4 (0.47) | — | |
| Pyrrolidine SCHEMBL14809175 | 0.89 | ALDH1A1 (0.53) | — | |
| Azetidine SCHEMBL15476648 | 0.88 | — | — | |
| Azetidine SCHEMBL3996064 | 0.85 | ALDH1A1 (0.47) | — | |
| Piperazine SCHEMBL28253866 | 0.85 | CXCR4 (0.47) | — |
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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8022208-B2 | Benzene derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-09-20 | — | — | US | claimed |
| JP-4676960-B2 | — | — | 2011-04-27 | — | — | JP | claimed |
| US-20090054352-A1 | BENZENE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2009-02-26 | — | — | US | claimed |
| EP-1947086-A1 | BENZENE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2008-07-23 | — | — | EP | claimed |
| JP-2006528940-A | — | — | 2006-12-28 | — | — | JP | claimed |
| EP-1633746-A1 | NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS | Sanofi-Aventis Deutschland GmbH (DE) | 2006-03-15 | — | — | EP | claimed |
| WO-2004101554-A1 | NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2004-11-25 | — | — | WO | claimed |
| EP-1479677-A1 | New indole derivatives as factor xa inhibitors | Aventis Pharma Deutschland GmbH (DE) | 2004-11-24 | — | — | EP | claimed |
| US-20240360156-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2024-10-31 | — | — | US | disclosed |
| US-12012467-B2 | Small molecule DCN1 inhibitors and therapeutic methods using the same | REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2024-06-18 | — | — | US | disclosed |
| US-11964949-B2 | Substituted phenyloxazolidinones for antimicrobial therapy | THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) | 2024-04-23 | — | — | US | disclosed |
| US-20220162253-A1 | CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | ABBISKO THERAPEUTICS CO., LTD. (CN) | 2022-05-26 | — | — | US | disclosed |
| EP-3609876-B1 | COVALENT SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME | UNIV MICHIGAN REGENTS (US) | 2022-03-30 | — | — | EP | disclosed |
| US-11279713-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2022-03-22 | — | — | US | disclosed |
| EP-1911743-A1 | CYCLIC AMINE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-04-16 | — | — | EP | disclosed |
| US-7196103-B2 | Indole derivatives as factor Xa inhibitors | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-03-27 | — | — | US | disclosed |
| EP-1633746-A1 | NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS | Sanofi-Aventis Deutschland GmbH (DE) | 2006-03-15 | — | — | EP | disclosed |
| US-20050033049-A1 | Indole derivatives as factor Xa inhibitors | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2005-02-10 | — | — | US | disclosed |
| WO-2004101554-A1 | NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2004-11-25 | — | — | WO | disclosed |
| EP-1479677-A1 | New indole derivatives as factor xa inhibitors | Aventis Pharma Deutschland GmbH (DE) | 2004-11-24 | — | — | EP | disclosed |