⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL467705 | 0.61 | — | — | |
| SCHEMBL30168809 | 0.61 | — | — | |
| SCHEMBL28736777 | 0.61 | — | — | |
| SCHEMBL19900524 | 0.61 | — | — | |
| SCHEMBL29240612 | 0.61 | — | — | |
| SCHEMBL5412972 | 0.60 | — | — | |
| SCHEMBL28430360 | 0.60 | TSHR (0.30) | — | |
| SCHEMBL14889148 | 0.59 | — | — | |
| SCHEMBL8852226 | 0.59 | — | — | |
| SCHEMBL1608598 | 0.57 | TSHR (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109256-B2 | Surface-modified inorganic oxide powder, process for producing the same, and use thereof | NIPPON AEROSIL CO., LTD. (NAC) (JP) | 2006-09-19 | — | — | US | disclosed |
| US-20030027896-A1 | Surface-modified inorganic oxide powder, process for producing the same, and use thereof | NIPPON AEROSIL CO., LTD. (NAC) (JP) | 2003-02-06 | — | — | US | disclosed |
| EP-1249475-A1 | SURFACE-MODIFIED INORGANIC OXIDE POWDER, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | Nippon Aerosil Co., Ltd. (JP) | 2002-10-16 | — | — | EP | disclosed |