⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28988167 | 0.87 | EPHX1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL27648927 | 0.77 | CA1 (0.37) | — | |
| SCHEMBL724787 | 0.74 | — | — | |
| SCHEMBL28477276 | 0.73 | — | — | |
| SCHEMBL15489411 | 0.73 | — | — | |
| SCHEMBL7644034 | 0.72 | — | — | |
| SCHEMBL28032273 | 0.72 | — | — | |
| SCHEMBL27084471 | 0.71 | USP2 (0.30) | — | |
| SCHEMBL28409633 | 0.71 | — | — | |
| SCHEMBL29389601 | 0.71 | ALDH1A1 (0.32) | — |
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-20100168403-A1 | Protein refolding agent and refolding method | YAMAGUCHI SHUNICHLRO | 2010-07-01 | — | — | US | disclosed |