⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7377951 | 1.00 | — | — | |
| SCHEMBL8472990 | 1.00 | — | — | |
| Bicarbonate SCHEMBL1053237 | 0.78 | FFAR3 (0.50) | — | |
| Bicarbonate SCHEMBL28785043 | 0.78 | FFAR3 (0.50) | — | |
| SCHEMBL8372425 | 0.77 | — | — | |
| SCHEMBL8372423 | 0.77 | — | — | |
| SCHEMBL3859908 | 0.77 | — | — | |
| SCHEMBL15547070 | 0.77 | FFAR3 (0.42) | — | |
| SCHEMBL15546131 | 0.74 | — | — | |
| SCHEMBL15548283 | 0.74 | FFAR3 (0.40) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| EP-0863916-B1 | POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS | AVENTIS PHARMA INC (US) | 2002-04-10 | — | — | EP | disclosed |
| EP-1012165-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N- 1- 3- (AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE | Aventis Pharmaceuticals Inc. (US) | 2000-06-28 | — | — | EP | disclosed |
| US-6069232-A | ANTICOAGULANTS FOR THERAPY AND PROPHYLAXIS OF CARDIOVASCULAR DISEASES, AND FOR STORAGE OF BLOOD | HOECHST MARION ROUSSEL, INC. (US) | 2000-05-30 | — | — | US | disclosed |
| EP-0863916-A1 | POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS | HOECHST MARION ROUSSEL, INC. (US) | 1998-09-16 | — | — | EP | disclosed |
| EP-0504064-B1 | Novel thrombin inhibitors | MERRELL PHARMA INC (US) | 1998-05-13 | — | — | EP | disclosed |
| WO-1997035874-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N-[1-[3-[(AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE | HOECHST MARION ROUSSEL, INC. (US) | 1997-10-02 | — | — | WO | disclosed |
| WO-1997012904-A1 | POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS | HOECHST MARION ROUSSEL, INC. (US) | 1997-04-10 | — | — | WO | disclosed |
| US-5563156-A | ANTICOAGULANTS, ANTIASTHMA AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1996-10-08 | — | — | US | disclosed |
| US-5498779-A | ANTICOAGULANTS AND TREATMENT OF ASTHMA | MERRELL PHARMACEUTICALS INC. (US) | 1996-03-12 | — | — | US | disclosed |
| US-5391705-A | Anticoagulants, treats thrombophlebitis, coronary thrombosis and asthma | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-02-21 | — | — | US | disclosed |
| EP-0504064-A1 | Novel thrombin inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1992-09-16 | — | — | EP | disclosed |