⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9768351 | 0.84 | — | — | |
| SCHEMBL5482292 | 0.82 | — | — | |
| SCHEMBL1736527 | 0.81 | — | — | |
| Water SCHEMBL23361680 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL28905362 | 0.77 | TSHR (0.47) | — | |
| SCHEMBL905195 | 0.77 | — | — | |
| SCHEMBL16329675 | 0.75 | — | — | |
| SCHEMBL8627242 | 0.75 | — | — | |
| Acetic Acid SCHEMBL5051005 | 0.74 | FFAR3 (0.39) | — | |
| SCHEMBL18175884 | 0.74 | ALDH1A1 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5071633-A | Adding ionic or nonionic surfactant to liquor from hydrogen su lfide scurbbing and oxidation; prevents crust formation | LINDE AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | disclosed |
| EP-0402507-A1 | Method of improving handling characteristics of froth of elemental sulfur particles | Linde Aktiengesellschaft (DE) | 1990-12-19 | — | — | EP | disclosed |