⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35997 | 0.55 | — | — | |
| SCHEMBL2475730 | 0.50 | — | — | |
| SCHEMBL607379 | 0.50 | — | — | |
| SCHEMBL2473800 | 0.50 | — | — | |
| SCHEMBL231401 | 0.50 | — | — | |
| SCHEMBL9564738 | 0.50 | — | — | |
| SCHEMBL523345 | 0.50 | — | — | |
| Nitric Oxide SCHEMBL7560 | 0.47 | — | — | |
| Nitric Oxide SCHEMBL3993955 | 0.47 | — | — | |
| Nitric Oxide SCHEMBL2546097 | 0.47 | — | — |
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-20070010689-A1 | Optically active 3,3'-dithiobis(2-amino-2methylpropionic acid) derivative and process for producing optically active 2-amino-3-mercapto-2-methylpropionic acid derivative | KANEKA CORPORATION (JP) | 2007-01-11 | — | — | US | disclosed |
| EP-1666458-A1 | OPTICALLY ACTIVE 3,3 -DITHIOBIS(2-AMINO-2-METHYLPROPIONI C ACID) DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-AMINO-3-MERCAPTO-2-METHYL-PROPIONIC ACID DERIVATIVE | KANEKA CORPORATION (JP) | 2006-06-07 | — | — | EP | disclosed |