⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5429342 | 1.00 | — | — | |
| SCHEMBL17591768 | 1.00 | — | — | |
| SCHEMBL18074175 | 0.85 | — | — | |
| SCHEMBL358401 | 0.80 | — | — | |
| SCHEMBL13654262 | 0.76 | — | — | |
| SCHEMBL6675935 | 0.76 | — | — | |
| SCHEMBL118430 | 0.76 | — | — | |
| SCHEMBL10266692 | 0.76 | — | — | |
| SCHEMBL12738142 | 0.76 | — | — | |
| SCHEMBL2632247 | 0.73 | MAPT (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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3786165-A1 | SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2021-03-03 | — | — | EP | disclosed |
| EP-2534154-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |
| US-20170355695-A1 | SMYD Inhibitors | Epizyme, Inc. (US) | 2017-12-14 | — | — | US | disclosed |
| US-20170247326-A1 | Substituted Pyrrolidine Carboxamide Compounds | Epizyme, Inc. (US) | 2017-08-31 | — | — | US | disclosed |
| US-9212187-B2 | Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| US-9212187-B2 | Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| US-9012463-B2 | Inhibitors of bruton's tyrosine kinase | PHARMACYCLICS, INC. (US) | 2015-04-21 | — | — | US | disclosed |
| US-20140343277-A1 | NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION | OTSUKA PHARCACEUTICAL CO LTD (JP) | 2014-11-20 | — | — | US | disclosed |
| US-20140343278-A1 | NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION | OTSUKA PHARMA CO LTD (JP) | 2014-11-20 | — | — | US | disclosed |
| US-20140343278-A1 | NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION | OTSUKA PHARMA CO LTD (JP) | 2014-11-20 | — | — | US | disclosed |
| US-20100113549-A1 | PYRROLIDINE COMPOUNDS | ISIS INNOVATION LTD. (GB) | 2010-05-06 | — | — | US | disclosed |
| US-20090264404-A1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-10-22 | — | — | US | disclosed |
| WO-2008152013-A1 | INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-12-18 | — | — | WO | disclosed |
| US-7456194-B2 | Imidazo-fused oxazolo [4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-25 | — | — | US | disclosed |
| US-20080182854-A1 | 4-Amino-5-Cyanopyrimidine Derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-07-31 | — | — | US | disclosed |
| US-20080182854-A1 | 4-Amino-5-Cyanopyrimidine Derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-07-31 | — | — | US | disclosed |
| WO-2008047883-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-04-24 | — | — | WO | disclosed |
| US-20070225297-A1 | Deuterated hepatitis C protease inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2007-09-27 | — | — | US | disclosed |
| EP-1740574-B1 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | OTSUKA PHARMA CO LTD (JP) | 2007-06-27 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |