⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL649682 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL937352 | 0.76 | CA1 (0.39) | — | |
| SCHEMBL5552238 | 0.74 | ESR1 (0.31) | — | |
| SCHEMBL4847238 | 0.74 | TRPA1 (0.43) | — | |
| SCHEMBL3481645 | 0.74 | TP53 (0.43) | — | |
| SCHEMBL1395217 | 0.70 | LPL (0.45) | — | |
| SCHEMBL18713263 | 0.69 | CA1 (0.42) | — | |
| SCHEMBL3815244 | 0.69 | — | — | |
| SCHEMBL4842998 | 0.69 | — | — | |
| SCHEMBL8235357 | 0.69 | ALDH1A1 (0.47) | — |
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-7463400-B1 | Electrochromic display device | FUJI XEROX CO., LTD. (JP) | 2008-12-09 | — | — | US | disclosed |
| US-6284365-B1 | FOR CONTROLLING PHYSICAL PROPERTIES OF SURFACE AND INTERFACE OF SOLID ARTICLE SUCH AS WETTABILITY, ADHESIVE PROPERTY, SURFACE ENERGY, DISPERSABILITY, CHEMICAL RESISTANCE | FUJI XEROX CO., LTD. (JP) | 2001-09-04 | — | — | US | disclosed |