⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12764403 | 0.70 | SLC22A6 (0.31) | — | |
| SCHEMBL12764402 | 0.68 | — | — | |
| SCHEMBL16330771 | 0.65 | TDP1 (0.40) | — | |
| SCHEMBL12764408 | 0.64 | GRIK1 (0.31) | — | |
| SCHEMBL6444629 | 0.61 | FFAR3 (0.47) | — | |
| SCHEMBL24059964 | 0.60 | TDP1 (0.32) | — | |
| SCHEMBL8602002 | 0.60 | FFAR3 (0.45) | — | |
| SCHEMBL18637345 | 0.59 | L3MBTL1 (0.36) | — | |
| SCHEMBL17929255 | 0.59 | GABRP (0.30) | — | |
| SCHEMBL265475 | 0.59 | — | — |
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-20120157659-A1 | AFFINITY PEPTIDES AND METHOD FOR PURIFICATION OF RECOMBINANT PROTEINS | SIGMA-ALDRICH CO. (US) | 2012-06-21 | — | — | US | disclosed |