⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18231778 | 0.77 | — | — | |
| SCHEMBL12908240 | 0.73 | — | — | |
| SCHEMBL12908331 | 0.73 | — | — | |
| SCHEMBL928174 | 0.71 | — | — | |
| SCHEMBL12908323 | 0.70 | — | — | |
| SCHEMBL12908237 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL6699368 | 0.69 | — | — | |
| SCHEMBL8836112 | 0.66 | — | — | |
| SCHEMBL2505162 | 0.66 | — | — | |
| SCHEMBL12908327 | 0.66 | — | — |
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-8507630-B2 | Organic inorganic composite material and utilization thereof | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2013-08-13 | — | — | US | disclosed |
| US-20110004010-A1 | ORGANIC INORGANIC COMPOSITE MATERIAL AND UTILIZATION THEREOF | National Instit of Advanced Indust Sci and Tech (JP) | 2011-01-06 | — | — | US | disclosed |