⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22047187 | 1.00 | — | — | |
| SCHEMBL8381994 | 0.78 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL22186683 | 0.78 | CA1 (0.32) | — | |
| SCHEMBL11111374 | 0.78 | HPGD (0.38) | — | |
| SCHEMBL11111370 | 0.78 | HPGD (0.38) | — | |
| SCHEMBL30885589 | 0.77 | SLC6A3 (0.36) | — | |
| SCHEMBL3791895 | 0.77 | SLC6A3 (0.36) | — | |
| SCHEMBL7284524 | 0.76 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL7284518 | 0.76 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL154766 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6008386-A | ALPHA-AMINO ACIDS BEARING AN OXIRANE RING ON THE ALPHA CARBON IN PLACE OF THE ALPHA-PROTON; IRREVERSIBLE INHIBITORS FOR AMINO ACID DECARBOXYLASES | BOARD OF REGENTS UNIVERSITY OF NEBRASKA-LINCOLN (US) | 1999-12-28 | — | — | US | claimed |