⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48705 | 1.00 | — | — | |
| SCHEMBL112830 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL9796432 | 0.86 | — | — | |
| Cyclohexane SCHEMBL5495897 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL1758459 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL2641676 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL9284091 | 0.84 | — | — | |
| SCHEMBL7650373 | 0.83 | — | — | |
| Alcohol SCHEMBL8653858 | 0.83 | ALDH1A1 (0.31) | — | |
| Cyclohexane SCHEMBL5504152 | 0.82 | ALDH1A1 (0.34) | — |
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-20070231527-A1 | Optical Recording Medium and Method for Producing Same | MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) | 2007-10-04 | — | — | US | disclosed |