⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11325067 | 0.75 | — | — | |
| SCHEMBL196137 | 0.72 | — | — | |
| SCHEMBL2307121 | 0.69 | — | — | |
| SCHEMBL8081456 | 0.65 | — | — | |
| SCHEMBL1605512 | 0.63 | — | — | |
| SCHEMBL771974 | 0.62 | — | — | |
| SCHEMBL4637 | 0.62 | — | — | |
| Tert-Butanol SCHEMBL27667668 | 0.62 | — | — | |
| Tert-Butanol SCHEMBL1357397 | 0.60 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL437146 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080281014-A1 | Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same | MITSUBISHI RAYON CO., LTD. (JP) | 2008-11-13 | — | — | US | disclosed |