⚠ 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 | |
|---|---|---|---|---|
| 2-Chloroethanol SCHEMBL10861133 | 0.81 | — | — | |
| Phosphonic Acid SCHEMBL29098216 | 0.79 | TSHR (0.50) | — | |
| Phosphonic Acid SCHEMBL908967 | 0.79 | ALDH1A1 (0.40) | — | |
| Phosphonic Acid SCHEMBL1682707 | 0.79 | — | — | |
| Phosphonic Acid SCHEMBL11808087 | 0.79 | — | — | |
| Phosphonic Acid SCHEMBL28321604 | 0.79 | TSHR (0.50) | — | |
| 2-Chloroethanol SCHEMBL10861561 | 0.78 | — | — | |
| 2-Chloroethanol SCHEMBL24987 | 0.78 | — | — | |
| 2-Chloroethanol SCHEMBL17028691 | 0.78 | — | — | |
| 2-Chloroethanol SCHEMBL28767182 | 0.75 | — | — |
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-3933424-A | Modified sulfonated resin surfactants | WESTVACO CORPORATION (US) | 1976-01-20 | — | — | US | disclosed |