⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3409523 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28226357 | 0.98 | ALDH1A1 (0.45) | — | |
| SCHEMBL2075909 | 0.86 | ALDH1A1 (0.61) | — | |
| SCHEMBL9921692 | 0.86 | ALDH1A1 (0.61) | — | |
| SCHEMBL4106786 | 0.86 | ALDH1A1 (0.61) | — | |
| SCHEMBL1261911 | 0.85 | ALDH1A1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL17009310 | 0.85 | ALDH1A1 (0.59) | — | |
| SCHEMBL10280125 | 0.84 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL28221817 | 0.83 | ALDH1A1 (0.54) | — | |
| SCHEMBL27889775 | 0.83 | ALDH1A1 (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060183888-A1 | Pyrrolysine synthesis and modification | NIH - DEITR | 2006-08-17 | — | — | US | disclosed |
| US-20060166319-A1 | Charging tRNA with pyrrolysine | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-07-27 | — | — | US | disclosed |