⚠ 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 SCHEMBL16156001 | 1.00 | — | — | |
| Sulfurous Acid SCHEMBL5583556 | 0.95 | — | — | |
| Sulfurous Acid SCHEMBL29131415 | 0.91 | CA1 (0.55) | — | |
| Sulfurous Acid SCHEMBL29131416 | 0.91 | — | — | |
| Sulfurous Acid SCHEMBL10946517 | 0.80 | CA1 (0.86) | — | |
| Sulfurous Acid SCHEMBL10425425 | 0.80 | CA1 (0.86) | — | |
| Sulfurous Acid SCHEMBL8684064 | 0.80 | CA1 (0.86) | — | |
| Sulfurous Acid SCHEMBL21951851 | 0.80 | — | — | |
| Sulfurous Acid SCHEMBL8349231 | 0.80 | CA1 (0.86) | — | |
| Sulfurous Acid SCHEMBL1001 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013186358-A1 | ASYMMETRIC HYDRATION OF 4-HYDROXYSTYRENE DERIVATIVES EMPLOYING DECARBOXYLASES | ACIB GMBH (AT) | 2013-12-19 | — | — | WO | disclosed |
| CN-1381418-A | Assistant for colour brick and its preparing process | LI XIANGGUI (CN) | 2002-11-27 | — | — | CN | disclosed |