⚠ 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 SCHEMBL4419711 | 0.98 | — | — | |
| SCHEMBL12432084 | 0.74 | PDK1 (0.36) | — | |
| SCHEMBL4425472 | 0.71 | NCF1 (0.34) | — | |
| SCHEMBL21724465 | 0.70 | SIRT1 (0.35) | — | |
| SCHEMBL12431974 | 0.69 | MAPT (0.38) | — | |
| SCHEMBL11209001 | 0.69 | DRD2 (0.45) | — | |
| SCHEMBL4420234 | 0.68 | CYP11B2 (0.38) | — | |
| SCHEMBL13885787 | 0.67 | F2 (0.37) | — | |
| SCHEMBL4427847 | 0.67 | DRD3 (0.41) | — | |
| SCHEMBL11791980 | 0.66 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7524871-B2 | Thrombin inhibitors | UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) | 2009-04-28 | — | — | US | disclosed |
| US-7524871-B2 | Thrombin inhibitors | UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) | 2009-04-28 | — | — | US | disclosed |
| US-7524871-B2 | Thrombin inhibitors | UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) | 2009-04-28 | — | — | US | disclosed |
| US-7112590-B2 | Thrombin inhibitors | LEK PHARMACEUTICALS D.D. (SI) | 2006-09-26 | — | — | US | disclosed |
| WO-2006009696-A2 | ANTICOAGULANT CONTRAST MEDIA | HEMATROPE PHARMACEUTICALS INC (US) | 2006-01-26 | — | — | WO | disclosed |
| US-20050281746-A1 | Anticoagulant contrast media | HEMATROPE PHARMACEUTICALS, INC. | 2005-12-22 | — | — | US | disclosed |
| US-20050165034-A1 | Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants | UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) | 2005-07-28 | — | — | US | disclosed |
| EP-1287018-B1 | THROMBIN INHIBITORS | LEK TOVARNA FARMACEVTSKIH (SI) | 2005-01-19 | — | — | EP | disclosed |
| US-20030191139-A1 | Thrombin inhibitors | UNIVERSITY OF LJUBLJANA (SI) | 2003-10-09 | — | — | US | disclosed |
| EP-1287018-A2 | THROMBIN INHIBITORS | Lek Pharmaceutical and Chemical Co. D.D. (SI) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001085760-A1 | THROMBIN INHIBITORS | LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) | 2001-11-15 | — | — | WO | disclosed |