⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5412411 | 0.98 | — | — | |
| SCHEMBL5404547 | 0.92 | — | — | |
| SCHEMBL5002878 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL2369826 | 0.80 | — | — | |
| SCHEMBL5412034 | 0.78 | — | — | |
| SCHEMBL4847128 | 0.74 | — | — | |
| SCHEMBL5406775 | 0.72 | — | — | |
| SCHEMBL5412417 | 0.72 | — | — | |
| SCHEMBL105689 | 0.70 | — | — | |
| SCHEMBL1051643 | 0.70 | PTPN1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6007927-A | FOR PREVENTING UNDESIRABLE DETERIORATION OF DIELECTRIC PROPERTIES AND SHORTENING OF DURABILITY INDUCED BY THE IMPURITY IONS PRESENT IN POWDERY BARIUM TITANATE | SUNSTAR GIKEN KABUSHIKI KAISHA (JP) | 1999-12-28 | — | — | US | disclosed |
| US-5777038-A | FLUOROPOLYMER; ELECTROLUMINESCENCE | SUNSTAR GIKEN KABUSHIKI KAISHA (JP) | 1998-07-07 | — | — | US | disclosed |