⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14134741 | 0.95 | — | — | |
| SCHEMBL15578250 | 0.81 | LMNA (0.36) | — | |
| SCHEMBL7691224 | 0.81 | CYP4F2 (0.37) | — | |
| SCHEMBL554730 | 0.81 | LMNA (0.36) | — | |
| SCHEMBL26033082 | 0.80 | LMNA (0.30) | — | |
| SCHEMBL18973896 | 0.78 | — | — | |
| SCHEMBL24790602 | 0.78 | MAPK1 (0.32) | — | |
| SCHEMBL25859111 | 0.74 | — | — | |
| SCHEMBL12533343 | 0.74 | — | — | |
| SCHEMBL126945 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1150996-B1 | NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2007-11-21 | — | — | EP | disclosed |
| US-6599894-B1 | Competitive inhibitors of trypsin-like proteases, such as thrombin, and in treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants | AstŕaZeneca AB (SE) | 2003-07-29 | — | — | US | disclosed |
| US-6599990-B2 | Molecular weight modification of polypropylene by 4-(t-amylperoxy)-4-methyl-2-pentanol and polypropylene so modified suitable for handling and packaging food, beverages and pharmaceuticals and for use in medical devices is disclosed. | ATOFINA CHEMICALS, INC. | 2003-07-29 | — | — | US | disclosed |