⚠ 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 | |
|---|---|---|---|---|
| Sulfurous Acid SCHEMBL11413369 | 1.00 | CA1 (0.75) | — | |
| Sulfurous Acid SCHEMBL11082187 | 0.94 | CA1 (0.86) | — | |
| Sulfurous Acid SCHEMBL27448793 | 0.94 | — | — | |
| Sulfurous Acid SCHEMBL42807 | 0.94 | — | — | |
| Sulfurous Acid SCHEMBL219901 | 0.94 | — | — | |
| Sulfurous Acid SCHEMBL20699835 | 0.88 | — | — | |
| Sulfurous Acid SCHEMBL20658053 | 0.88 | CA1 (0.75) | — | |
| Sulfurous Acid SCHEMBL22817897 | 0.88 | — | — | |
| Sulfurous Acid SCHEMBL4445469 | 0.88 | — | — | |
| Sulfurous Acid SCHEMBL7536205 | 0.88 | CA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0927715-B1 | Process for preparing a polyether polyol | BAYER AG (US) | 2004-03-17 | — | — | EP | disclosed |
| US-6004482-A | SALTS OF SULFUR COMPOUNDS, ALDEHYDES OF ALKALI METALS OF SULFUR AND ALUMINUM HYDRIDES | BAYER CORPORATION (US) | 1999-12-21 | — | — | US | disclosed |
| EP-0927715-A1 | A stable aromatic amine composition, and a process for preparing color stable aromatic amines | Bayer Corporation (US) | 1999-07-07 | — | — | EP | disclosed |