⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11772271 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL9457822 | 0.77 | — | — | |
| SCHEMBL845081 | 0.77 | — | — | |
| SCHEMBL1254465 | 0.77 | — | — | |
| SCHEMBL15854876 | 0.77 | — | — | |
| SCHEMBL12491219 | 0.77 | TSHR (0.47) | — | |
| SCHEMBL322669 | 0.76 | — | — | |
| Ethyl Acetate SCHEMBL6324518 | 0.75 | ALDH1A1 (0.67) | — | |
| SCHEMBL8847864 | 0.75 | — | — | |
| SCHEMBL844430 | 0.75 | TSHR (0.31) | — |
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 569 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016204991-A1 | IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-12-22 | — | — | WO | claimed |
| US-9394312-B1 | Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2016-07-19 | — | — | US | claimed |
| US-20080261314-A1 | FLUORESCENT PROBE FOR ZINC | DAIICHI PURE CHEMICALS CO., LTD. (JP) | 2008-10-23 | — | — | US | claimed |
| WO-2007054965-A2 | PROCESS FOR PREPARATION OF TETRAZOLES FROM AROMATIC CYANO DERIVATIVES | ALEMBIC LIMITED (IN) | 2007-05-18 | — | — | WO | claimed |
| US-6884868-B1 | Cyclic hexapeptides having antibiotic activity | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-04-26 | — | — | US | claimed |
| US-20040235902-A1 | Fluorescent probes for zinc | DAIICHI PURE CHEMICALS CO., LTD. (JP) | 2004-11-25 | — | — | US | claimed |
| EP-1007037-A4 | ANTITHROMBOTIC AGENTS | LILLY CO ELI (US) | 2004-10-06 | — | — | EP | claimed |
| EP-1403268-A1 | FLUORESCENT PROBES FOR ZINC | DAIICHI PURE CHEMICALS CO., LTD. (JP) | 2004-03-31 | — | — | EP | claimed |
| US-6677369-B2 | CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA | ELI LILLY AND COMPANY | 2004-01-13 | — | — | US | claimed |
| US-20030195223-A1 | An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates | BEIGHT DOUGLAS WADE (US) | 2003-10-16 | — | — | US | claimed |
| US-5726185-A | BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION | HOFFMANN-LA ROCHE INC. (US) | 1998-03-10 | — | — | US | claimed |
| US-5496835-A | HYPOTENSIVE AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-03-05 | — | — | US | claimed |
| EP-0656348-A2 | Aceric acid derivatives as medicaments | F. HOFFMANN-LA ROCHE AG (CH) | 1995-06-07 | — | — | EP | claimed |
| EP-0603712-A2 | Heterocyclic compounds having angiotensin II antagonistic activity and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-06-29 | — | — | EP | claimed |
| EP-0531883-A1 | Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1993-03-17 | — | — | EP | claimed |
| US-4945171-A | FLUORESCENT DYES | MOLECULAR PROBES, INC. (US) | 1990-07-31 | — | — | US | claimed |
| US-4323567-A | BACTERICIDES | NARISADA MASAYUKI | 1982-04-06 | — | — | US | claimed |
| EP-0041047-A2 | Dioxide compounds, process for their preparation and their use | CIBA-GEIGY AG (CH) | 1981-12-02 | — | — | EP | claimed |
| US-4180571-A | Arylmalonamido-1-oxadethiacephalosporins | SHIONOGI & CO., LTD. (JP) | 1979-12-25 | — | — | US | claimed |
| US-4138486-A | BACTERICIDES | SHIONOGI & CO., LTD. (JP) | 1979-02-06 | — | — | US | claimed |