⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8059095 | 0.87 | ALDH1A1 (0.49) | — | |
| SCHEMBL27515266 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL9655558 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL2436909 | 0.81 | — | — | |
| SCHEMBL2160231 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL4405692 | 0.74 | — | — | |
| SCHEMBL4414869 | 0.73 | — | — | |
| SCHEMBL4408941 | 0.73 | — | — | |
| SCHEMBL4409074 | 0.73 | — | — | |
| SCHEMBL4408138 | 0.73 | ALDH1A1 (0.45) | — |
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-20080242091-A1 | METAL-POLISHING LIQUID AND POLISHING METHOD | FUJIFILM CORPORATION (JP) | 2008-10-02 | — | — | US | disclosed |
| US-4632674-A | Diesel fuel containing a tetrazole or triazole cetane improver | EXXON CHEMICAL PATENTS INC. (US) | 1986-12-30 | — | — | US | disclosed |