⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL84532 | 0.79 | — | — | |
| SCHEMBL8394425 | 0.78 | — | — | |
| SCHEMBL4556845 | 0.77 | — | — | |
| SCHEMBL7521766 | 0.77 | TSHR (0.47) | — | |
| SCHEMBL453100 | 0.77 | TSHR (0.47) | — | |
| SCHEMBL4609002 | 0.74 | — | — | |
| SCHEMBL469873 | 0.74 | — | — | |
| SCHEMBL4609007 | 0.74 | — | — | |
| SCHEMBL137826 | 0.74 | — | — | |
| SCHEMBL280688 | 0.74 | — | — |
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-6803393-B2 | COMPRISING AN ISOCYANATE-REACTIVE BINDER COMPONENT COMPRISING AT LEAST ONE UNSATURATED POLYESTER WHOSE MOLECULE CONTAINS ON AVERAGE AT LEAST ONE GROUP THAT CAN BE ACTIVATED WITH ACTINIC RADIATION | BASF COATINGS AG (DE) | 2004-10-12 | — | — | US | claimed |