⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5144607 | 1.00 | — | — | |
| SCHEMBL12496573 | 0.74 | — | — | |
| SCHEMBL11042386 | 0.71 | — | — | |
| SCHEMBL8533485 | 0.70 | — | — | |
| SCHEMBL8533488 | 0.70 | — | — | |
| SCHEMBL7027113 | 0.67 | — | — | |
| SCHEMBL1995104 | 0.65 | — | — | |
| SCHEMBL1995105 | 0.65 | — | — | |
| SCHEMBL742836 | 0.65 | — | — | |
| SCHEMBL566257 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5916906-A | TREATMENT OF NEURODEGENERATIVE DISORDERS, VIRAL INFECTIONS, AUTOIMMUNE DISEASES | SHASKAN EDWARD G (US) | 1999-06-29 | — | — | US | disclosed |
| EP-0814812-A1 | COMPOSITIONS COMPRISING NICOTYNYLALANINE AND AN INHIBITOR OF GLYCINE CONJUGATION OR VITAMIN B6 | Shaskan, Edward G. (US) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996028167-A1 | COMPOSITIONS COMPRISING NICOTYNYLALANINE AND AN INHIBITOR OF GLYCINE CONJUGATION OR VITAMIN B6 | SHASKAN EDWARD G (US) | 1996-09-19 | — | — | WO | disclosed |