⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL787819 | 0.76 | RIPK1 (0.30) | — | |
| SCHEMBL787829 | 0.71 | ELANE (0.31) | — | |
| SCHEMBL22893091 | 0.62 | MGLL (0.38) | — | |
| SCHEMBL2702696 | 0.61 | LMNA (0.49) | — | |
| SCHEMBL788029 | 0.58 | RGS4 (0.33) | — | |
| SCHEMBL10606912 | 0.58 | CHRNB2 (0.34) | — | |
| SCHEMBL13814431 | 0.57 | MAPT (0.33) | — | |
| SCHEMBL22426636 | 0.56 | NPC1 (0.41) | — | |
| SCHEMBL22426631 | 0.55 | NPC1 (0.40) | — | |
| SCHEMBL12734820 | 0.55 | MAPT (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120071664-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | NDSU RESEARCH FOUNDATION (US) | 2012-03-22 | — | — | US | disclosed |
| US-8034974-B2 | Beta-amino acids and methods intermediates for making same | NDSU RESEARCH FOUNDATION (US) | 2011-10-11 | — | — | US | disclosed |
| US-20110218342-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | NORTH DAKOTA STATE UNIVERSITY | 2011-09-08 | — | — | US | disclosed |