⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14754319 | 1.00 | — | — | |
| SCHEMBL27810018 | 0.77 | — | — | |
| SCHEMBL16866506 | 0.77 | — | — | |
| SCHEMBL27529607 | 0.76 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL19820080 | 0.72 | CPB2 (0.42) | — | |
| SCHEMBL13575067 | 0.69 | — | — | |
| SCHEMBL3045747 | 0.69 | — | — | |
| SCHEMBL27468576 | 0.67 | MME (0.46) | — | |
| SCHEMBL14012605 | 0.67 | — | — | |
| SCHEMBL7043093 | 0.67 | CA1 (0.36) | — |
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-2013030654-A1 | PROCESSES FOR THE PREPARATION OF (R)-2-ACETAMIDO-N-BENZYL-3-METHOXYPROPIONAMIDE AND INTERMEDIATES THEREOF | SIGNA S.A. DE C.V. (MX) | 2013-03-07 | — | — | WO | disclosed |