⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9972654 | 0.73 | HTT (0.34) | — | |
| SCHEMBL12879776 | 0.73 | — | — | |
| SCHEMBL12879764 | 0.69 | — | — | |
| SCHEMBL5331153 | 0.67 | — | — | |
| SCHEMBL5331150 | 0.67 | — | — | |
| SCHEMBL12562461 | 0.65 | HTT (0.31) | — | |
| SCHEMBL2175184 | 0.65 | HTT (0.38) | — | |
| SCHEMBL2172205 | 0.65 | HTT (0.38) | — | |
| SCHEMBL1219805 | 0.65 | — | — | |
| SCHEMBL9191181 | 0.64 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6858396-B2 | Positively charged non-natural amino acids, methods of making and using thereof in peptides | MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) | 2005-02-22 | — | — | US | disclosed |
| US-6783946-B2 | CLOSELY REPLICATE THE NATURAL AMINO ACIDS LYSINE AND ARGININE. | MEDICAL UNIVERSITY OF SOUTH CAROLINA | 2004-08-31 | — | — | US | disclosed |
| US-6566330-B1 | As chemical intermediate | MEDICAL UNIVERSITY OF SOUTH CAROLINA FOUNDATION RESEARCH DEVELOPMENT | 2003-05-20 | — | — | US | disclosed |
| US-20020137730-A1 | Positively charged non-natural amino acids, methods of making and using thereof in peptides | MEDICAL UNIVERSITY OF SOUTH CAROLINA | 2002-09-26 | — | — | US | disclosed |
| US-20020068701-A1 | Positively charged non-natural amino acids, methods of making thereof, and use thereof in peptides | MEDICAL UNIVERSITY OF SOUTH CAROLINA | 2002-06-06 | — | — | US | disclosed |
| US-6358922-B1 | ARGININE DERIVATIVES | MEDICAL UNIVERSITY OF SOUTH CAROLINA | 2002-03-19 | — | — | US | disclosed |
| US-6043218-A | Positively charged non-natural amino acids, methods of making thereof, and use thereof in peptides | MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) | 2000-03-28 | — | — | US | disclosed |
| WO-1998017626-A2 | POSITIVELY CHARGED NON-NATURAL AMINO ACIDS, METHODS OF MAKING THEREOF, AND USE THEREOF IN PEPTIDES | MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) | 1998-04-30 | — | — | WO | disclosed |