⚠ 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 SCHEMBL842008 | 0.98 | FFAR3 (0.35) | — | |
| SCHEMBL5673887 | 0.91 | CYP2C19 (0.35) | — | |
| SCHEMBL23513707 | 0.91 | FFAR3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1706436 | 0.89 | FFAR3 (0.32) | — | |
| SCHEMBL4616715 | 0.89 | CYP2C19 (0.39) | — | |
| SCHEMBL26522481 | 0.83 | OPRM1 (0.36) | — | |
| SCHEMBL27833409 | 0.82 | KMT2A (0.31) | — | |
| Hydrochloric Acid SCHEMBL10500403 | 0.82 | KDM4E (0.47) | — | |
| SCHEMBL26497200 | 0.82 | KDM4E (0.40) | — | |
| SCHEMBL19369950 | 0.78 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021093817-A1 | IMMUNOMODULATORY COMPOUNDS, COMPOSITION AND APPLICATION THEREOF | 杭州和正医药有限公司 | 2021-05-20 | — | — | WO | disclosed |
| EP-2250165-B1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO SA (CH) | 2018-07-25 | — | — | EP | disclosed |
| US-9770439-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-26 | — | — | US | disclosed |
| US-20170014408-A1 | HEPATITIS B ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. | 2017-01-19 | — | — | US | disclosed |
| US-20160199355-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MAYERS SQUIBB COMPANY (US) | 2016-07-14 | — | — | US | disclosed |
| US-20160158200-A1 | Combinations of Hepatitis C Virus Inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2016-06-09 | — | — | US | disclosed |
| US-9326973-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-05-03 | — | — | US | disclosed |
| US-20150297568-A1 | Hepatitis C Virus Inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2015-10-22 | — | — | US | disclosed |
| US-20150023913-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2015-01-22 | — | — | US | disclosed |
| US-20130183269-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-07-18 | — | — | US | disclosed |
| WO-2009080663-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO S.A. (CH) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009070485-A1 | DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-04 | — | — | WO | disclosed |
| WO-2008076356-A1 | NOVEL OXADIAZOLE COMPOUNDS | ABBOTT LABORATORIES (US) | 2008-06-26 | — | — | WO | disclosed |
| EP-1827441-A1 | COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION | Boehringer Ingelheim International GmbH (DE) | 2007-09-05 | — | — | EP | disclosed |
| EP-1778240-A2 | DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES | Boehringer Ingelheim International GmbH (DE) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006018185-A2 | DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-02-23 | — | — | WO | disclosed |
| WO-2006018182-A1 | COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-02-23 | — | — | WO | disclosed |
| EP-1556361-A2 | 2-ALKYL-(2-AMINO-3-ARYL-PROPIONYL)-PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY | THE PROCTER & GAMBLE COMPANY (US) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004037797-A2 | 2 - ALKYL - (2 - AMINO - 3 - ARYL - PROPIONYL) - PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY | THE PROCTER & GAMBLE COMPANY (US) | 2004-05-06 | — | — | WO | disclosed |
| US-6017957-A | AN AMINOCYCLOPROPANECARBOXYLIC ACID OR ESTER AS POTENT DRUG TREATING NERVOUS SYSTEM DISORDER EPILEPSY, STROKE, ANXIETY, ALZHEIMER'S DISEASE, PARKINSON DISEASE, GUAM ALS, DEMENTIA, AND LATHYRISM | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-01-25 | — | — | US | disclosed |