⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8533488 | 1.00 | — | — | |
| SCHEMBL298990 | 0.76 | EPHX1 (0.33) | — | |
| SCHEMBL298989 | 0.76 | EPHX1 (0.33) | — | |
| SCHEMBL8438531 | 0.70 | — | — | |
| SCHEMBL5144607 | 0.70 | — | — | |
| SCHEMBL436930 | 0.69 | — | — | |
| SCHEMBL12496573 | 0.69 | — | — | |
| SCHEMBL9691871 | 0.68 | MMP8 (0.38) | — | |
| Water SCHEMBL28211135 | 0.67 | — | — | |
| SCHEMBL6721815 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0814812-A1 | COMPOSITIONS COMPRISING NICOTYNYLALANINE AND AN INHIBITOR OF GLYCINE CONJUGATION OR VITAMIN B6 | Shaskan, Edward G. (US) | 1998-01-07 | — | — | EP | disclosed |