⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL98770 | 0.97 | — | — | |
| SCHEMBL28119764 | 0.94 | — | — | |
| Oxalic Acid SCHEMBL27581908 | 0.94 | ALDH1A1 (0.50) | — | |
| Fluoride SCHEMBL27810482 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL943803 | 0.94 | — | — | |
| SCHEMBL29240048 | 0.94 | — | — | |
| SCHEMBL28863989 | 0.94 | — | — | |
| SCHEMBL27705013 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL27437639 | 0.94 | — | — | |
| Ethylene SCHEMBL10939410 | 0.92 | ALDH1A1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105085363-A | 4-chloro(bromo)-5-alkylthio-3-pyrrolidone derivative and synthesis thereof | DALIAN CHEMICAL PHYSICS INST | 2015-11-25 | — | — | CN | disclosed |