⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL583649 | 1.00 | — | — | |
| SCHEMBL5965337 | 1.00 | — | — | |
| Water SCHEMBL6244435 | 0.98 | — | — | |
| SCHEMBL992260 | 0.98 | — | — | |
| SCHEMBL361549 | 0.92 | — | — | |
| SCHEMBL646408 | 0.92 | EPHX1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL3021166 | 0.90 | — | — | |
| SCHEMBL27510109 | 0.88 | EPHX1 (0.39) | — | |
| Proline SCHEMBL8381835 | 0.86 | — | — | |
| SCHEMBL6360303 | 0.86 | CHRM2 (0.37) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6900319-B2 | Thrombin inhibitors | ABBOTT GMBH & CO. KG (DE) | 2005-05-31 | — | — | US | disclosed |
| US-20020169318-A1 | Novel thrombin inhibitors | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2002-11-14 | — | — | US | disclosed |
| US-6444817-B1 | ANTICOAGULANTS | ABBOTT LABORATORIES | 2002-09-03 | — | — | US | disclosed |
| US-6030972-A | 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-29 | — | — | US | disclosed |
| EP-0873356-A1 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-28 | — | — | EP | disclosed |
| WO-1996025426-A9 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | — | 1997-06-12 | — | — | WO | disclosed |
| WO-1996025426-A1 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-22 | — | — | WO | disclosed |