⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31343129 | 0.74 | — | — | |
| SCHEMBL556803 | 0.74 | — | — | |
| SCHEMBL27772225 | 0.72 | — | — | |
| SCHEMBL307665 | 0.67 | — | — | |
| SCHEMBL17874989 | 0.67 | — | — | |
| SCHEMBL9410867 | 0.67 | — | — | |
| SCHEMBL4265425 | 0.67 | — | — | |
| SCHEMBL9410863 | 0.67 | — | — | |
| SCHEMBL20668754 | 0.67 | — | — | |
| SCHEMBL5925201 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060228549-A1 | Polymer coated metal oxide and process for producing the same | TOKYO INSTITUTE OF TECHNOLOGY (JP) | 2006-10-12 | — | — | US | claimed |
| US-20060228549-A1 | Polymer coated metal oxide and process for producing the same | TOKYO INSTITUTE OF TECHNOLOGY (JP) | 2006-10-12 | — | — | US | disclosed |
| JP-2006056923-A | INK FOR INK-JET RECORDING | TOKYO INSTITUTE OF TECHNOLOGY | 2006-03-02 | — | — | JP | disclosed |
| JP-2005307196-A | SILOXANE DERIVATIVE AND PRODUCTION METHOD THEREOF | RIKOGAKU SHINKOKAI | 2005-11-04 | — | — | JP | disclosed |