⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4431640 | 0.77 | — | — | |
| SCHEMBL8631221 | 0.75 | MEN1 (0.46) | — | |
| SCHEMBL8634448 | 0.72 | LMNA (0.54) | — | |
| SCHEMBL8637680 | 0.69 | — | — | |
| SCHEMBL8633808 | 0.69 | — | — | |
| SCHEMBL29661474 | 0.69 | KDM4E (0.57) | — | |
| SCHEMBL3563842 | 0.69 | KDM4E (0.63) | — | |
| SCHEMBL513565 | 0.69 | KDM4E (0.57) | — | |
| SCHEMBL8990283 | 0.67 | — | — | |
| SCHEMBL8633410 | 0.67 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999025327-A2 | SMALL MOLECULE INTERVENTION IN HIV-1 REPLICATION | WARNER-LAMBERT COMPANY (US) | 1999-05-27 | — | — | WO | claimed |
| 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 |
| 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 |
| EP-1451175-A1 | THROMBIN INHIBITORS | University of Ljubljana (SI) | 2004-09-01 | — | — | EP | disclosed |
| US-20030191139-A1 | Thrombin inhibitors | UNIVERSITY OF LJUBLJANA (SI) | 2003-10-09 | — | — | US | disclosed |
| WO-2003048155-A1 | THROMBIN INHIBITORS | UNIVERSITY OF LJUBLJANA (SI) | 2003-06-12 | — | — | WO | 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 |
| WO-1999025327-A2 | SMALL MOLECULE INTERVENTION IN HIV-1 REPLICATION | WARNER-LAMBERT COMPANY (US) | 1999-05-27 | — | — | WO | disclosed |