⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8720709 | 0.77 | — | — | |
| SCHEMBL1658273 | 0.74 | — | — | |
| SCHEMBL101701 | 0.74 | — | — | |
| SCHEMBL27637089 | 0.73 | — | — | |
| SCHEMBL9255153 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL1461899 | 0.72 | — | — | |
| SCHEMBL27758736 | 0.72 | — | — | |
| SCHEMBL11104698 | 0.72 | — | — | |
| SCHEMBL14707183 | 0.72 | TSHR (0.52) | — | |
| SCHEMBL28176456 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101332157-B | Cysteine derivatives | AJINOMOTO KK | 2012-01-11 | — | — | CN | disclosed |