⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15467042 | 0.84 | — | — | |
| SCHEMBL21538846 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL19066400 | 0.77 | — | — | |
| SCHEMBL19313612 | 0.76 | CACNA2D1 (0.57) | — | |
| SCHEMBL466806 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL25677570 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL8290202 | 0.75 | — | — | |
| SCHEMBL18576430 | 0.75 | — | — | |
| SCHEMBL8171433 | 0.75 | — | — | |
| SCHEMBL19052271 | 0.75 | ALDH1A1 (0.36) | — |
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-20090137842-A1 | PREGABALIN -4-ELIMINATE, PREGABALIN 5-ELIMINATE, THEIR USE AS REFERENCE MARKER AND STANDARD, AND METHOD TO PRODUCE PREGABALIN CONTAINING LOW LEVELS THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2009-05-28 | — | — | US | disclosed |