⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12284717 | 1.00 | — | — | |
| SCHEMBL472578 | 0.82 | — | — | |
| SCHEMBL10034145 | 0.82 | — | — | |
| SCHEMBL8586900 | 0.82 | — | — | |
| SCHEMBL15244658 | 0.80 | — | — | |
| SCHEMBL15298996 | 0.80 | PTGS1 (0.34) | — | |
| SCHEMBL137715 | 0.80 | PTGS1 (0.34) | — | |
| SCHEMBL17779148 | 0.78 | — | — | |
| SCHEMBL8059991 | 0.78 | — | — | |
| Methacrylic Acid SCHEMBL1443532 | 0.78 | HTT (0.39) | — |
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-20090000519-A1 | Coatings Reparable by Energy Discharge | BASF SE (DE) | 2009-01-01 | — | — | US | disclosed |