⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4175069 | 0.89 | KDM4E (0.33) | — | |
| SCHEMBL1856682 | 0.81 | — | — | |
| SCHEMBL953974 | 0.77 | MAPT (0.32) | — | |
| SCHEMBL11338382 | 0.69 | — | — | |
| SCHEMBL9270189 | 0.68 | CYP1A2 (0.48) | — | |
| SCHEMBL2713812 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL25664590 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL14032484 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL11334048 | 0.61 | — | — | |
| SCHEMBL5728741 | 0.58 | CYP2A6 (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7705043-B2 | Substituted aminodicarboxylic acid derivatives having pharmaceutical properties | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-27 | — | — | US | disclosed |
| US-7705043-B2 | Substituted aminodicarboxylic acid derivatives having pharmaceutical properties | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-27 | — | — | US | disclosed |
| US-7705043-B2 | Substituted aminodicarboxylic acid derivatives having pharmaceutical properties | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-27 | — | — | US | disclosed |
| US-20070179139-A1 | Substituted aminodicarboxylic acid derivatives having pharmaceutical properties | BAYER AKTIENGESELLSCHAFT (DE) | 2007-08-02 | — | — | US | disclosed |
| US-20070179139-A1 | Substituted aminodicarboxylic acid derivatives having pharmaceutical properties | BAYER AKTIENGESELLSCHAFT (DE) | 2007-08-02 | — | — | US | disclosed |
| US-20070179139-A1 | Substituted aminodicarboxylic acid derivatives having pharmaceutical properties | BAYER AKTIENGESELLSCHAFT (DE) | 2007-08-02 | — | — | US | disclosed |
| US-20040082798-A1 | Novel amino dicarboxylic acid derivatives with pharmaceutical properties | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2004-04-29 | — | — | US | disclosed |
| EP-1368335-A2 | NOVEL AMINO DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES | Bayer Aktiengesellschaft (DE) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002070510-A2 | AMINO DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-12 | — | — | WO | disclosed |