⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2023149 | 0.82 | — | — | |
| SCHEMBL891323 | 0.77 | CA2 (0.38) | — | |
| SCHEMBL210607 | 0.77 | CA2 (0.40) | — | |
| SCHEMBL28766179 | 0.72 | NPSR1 (0.36) | — | |
| SCHEMBL11409981 | 0.70 | MAPK1 (0.37) | — | |
| SCHEMBL28438138 | 0.70 | — | — | |
| SCHEMBL5916192 | 0.69 | CTSK (0.34) | — | |
| SCHEMBL28569212 | 0.68 | CA2 (0.40) | — | |
| SCHEMBL7757454 | 0.68 | CA2 (0.34) | — | |
| SCHEMBL19206689 | 0.67 | CA2 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080139771-A1 | Thio(Meth)Acrylates, Mixtures For Producing Transparent Plastics, Transparent Plastics And Method For Their Production And Use | ROEHM GMBH (DE) | 2008-06-12 | — | — | US | disclosed |