⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4358655 | 0.76 | SLC1A3 (0.35) | — | |
| SCHEMBL2725105 | 0.75 | ATM (0.36) | — | |
| SCHEMBL4368705 | 0.75 | SLC1A3 (0.34) | — | |
| SCHEMBL4267013 | 0.70 | HSD11B1 (0.32) | — | |
| Oxalic Acid SCHEMBL329881 | 0.69 | MME (0.34) | — | |
| SCHEMBL4265694 | 0.69 | BTK (0.31) | — | |
| Oxalic Acid SCHEMBL17437678 | 0.69 | MME (0.33) | — | |
| Sulfuric Acid SCHEMBL17437658 | 0.68 | MME (0.33) | — | |
| SCHEMBL13355476 | 0.67 | ANPEP (0.49) | — | |
| SCHEMBL3802014 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100093785-A1 | DIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2010-04-15 | — | — | US | disclosed |
| US-20050119486-A1 | Diamine derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2005-06-02 | — | — | US | disclosed |