⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13181469 | 0.94 | POLB (0.30) | — | |
| SCHEMBL13181470 | 0.88 | POLB (0.34) | — | |
| SCHEMBL14557904 | 0.87 | ELANE (0.30) | — | |
| SCHEMBL14557897 | 0.87 | HSD11B1 (0.31) | — | |
| SCHEMBL13181491 | 0.87 | POLB (0.35) | — | |
| SCHEMBL14557902 | 0.85 | POLB (0.32) | — | |
| SCHEMBL14545944 | 0.85 | PTGDR2 (0.30) | — | |
| SCHEMBL13181478 | 0.81 | HSD11B1 (0.33) | — | |
| SCHEMBL12807628 | 0.80 | CASP1 (0.31) | — | |
| SCHEMBL14558045 | 0.80 | POLB (0.35) | — |
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-20070066759-A1 | Block copolymers and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-03-22 | — | — | US | disclosed |