⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20469591 | 1.00 | — | — | |
| SCHEMBL18473228 | 0.84 | — | — | |
| SCHEMBL14001615 | 0.71 | — | — | |
| SCHEMBL13939274 | 0.71 | — | — | |
| SCHEMBL16840081 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL4659758 | 0.46 | — | — | |
| Benzene SCHEMBL407728 | 0.46 | TSHR (0.43) | — | |
| Trimethylammonium SCHEMBL13989274 | 0.45 | — | — | |
| Trimethylammonium SCHEMBL5582 | 0.45 | — | — | |
| Trimethylammonium SCHEMBL5310222 | 0.45 | — | — |
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-20120052569-A1 | TAG PEPTIDE HAVING A PROTEASE RECOGNITION SEQUENCE AND USE THEREOF | OSAKA UNIVERSITY | 2012-03-01 | — | — | US | disclosed |