⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8769132 | 1.00 | CES2 (0.69) | — | |
| SCHEMBL24359 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL12819430 | 0.97 | — | — | |
| SCHEMBL28222287 | 0.97 | — | — | |
| Helium SCHEMBL29771543 | 0.97 | — | — | |
| SCHEMBL28584188 | 0.97 | — | — | |
| SCHEMBL11244674 | 0.97 | — | — | |
| SCHEMBL28013486 | 0.97 | — | — | |
| SCHEMBL7530721 | 0.91 | CES2 (0.58) | — | |
| Propanol SCHEMBL909823 | 0.91 | CES2 (0.58) | — |
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-9840457-B2 | Lysine isotopologues, compositions comprising the same and methods of synthesis | CAMBRIDGE ISOTOPE LABORATORIES, INC. (US) | 2017-12-12 | — | — | US | disclosed |
| US-20160016890-A1 | LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS | CAMBRIDGE ISOTOPE LABORATORIES, INC. | 2016-01-21 | — | — | US | disclosed |