⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276169 | 0.96 | — | — | |
| SCHEMBL27924710 | 0.96 | CYP2C19 (0.45) | — | |
| SCHEMBL779156 | 0.87 | CYP2C19 (0.39) | — | |
| SCHEMBL6762251 | 0.84 | CYP2C19 (0.38) | — | |
| SCHEMBL16299498 | 0.82 | — | — | |
| SCHEMBL2836891 | 0.82 | — | — | |
| SCHEMBL777057 | 0.82 | — | — | |
| Dimethyl Sulfoxide SCHEMBL28833653 | 0.82 | CYP2C19 (0.36) | — | |
| SCHEMBL778993 | 0.80 | — | — | |
| SCHEMBL28152765 | 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 |
|---|---|---|---|---|---|---|---|
| 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 |