⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL6815472 | 0.96 | — | — | |
| Sulfurous Acid SCHEMBL10483923 | 0.82 | — | — | |
| Butane SCHEMBL27583761 | 0.82 | — | — | |
| Sulfurous Acid SCHEMBL2495585 | 0.78 | — | — | |
| Propylamine SCHEMBL27890258 | 0.77 | — | — | |
| Hexane SCHEMBL927136 | 0.77 | CES2 (0.53) | — | |
| Sulfurous Acid SCHEMBL27788713 | 0.77 | — | — | |
| Butane SCHEMBL27552902 | 0.77 | — | — | |
| Sulfurous Acid SCHEMBL27565298 | 0.76 | — | — | |
| Sulfurous Acid SCHEMBL3691712 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2872261-A1 | MICROWAVE CURING OF MULTI-LAYER COATINGS | Tata Steel UK Limited (GB) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014008993-A1 | MICROWAVE CURING OF MULTI-LAYER COATINGS | TATA STEEL UK LIMITED (GB) | 2014-01-16 | — | — | WO | disclosed |