⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4786277 | 1.00 | — | — | |
| SCHEMBL2035273 | 0.85 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL17293872 | 0.78 | — | — | |
| SCHEMBL27704379 | 0.76 | HSD17B10 (0.58) | — | |
| SCHEMBL27875456 | 0.74 | — | — | |
| SCHEMBL11518330 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL7640960 | 0.73 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL10329462 | 0.73 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL5755090 | 0.73 | — | — | |
| SCHEMBL11463138 | 0.72 | CA1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008115337-A1 | SULFUR-PROTECTED MERCAPTOACETYLGLYCYLGLYCYLGLYCINE | MALLINCKRODT INC. (US) | 2008-09-25 | — | — | WO | disclosed |