⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14437794 | 1.00 | — | — | |
| SCHEMBL4349511 | 0.88 | NQO1 (0.31) | — | |
| SCHEMBL14437806 | 0.85 | — | — | |
| SCHEMBL14437790 | 0.84 | — | — | |
| SCHEMBL15067231 | 0.84 | NQO1 (0.33) | — | |
| SCHEMBL14267373 | 0.83 | CYP2A6 (0.38) | — | |
| SCHEMBL4585250 | 0.83 | CYP2A6 (0.38) | — | |
| SCHEMBL4584709 | 0.83 | CYP2A6 (0.38) | — | |
| SCHEMBL14267378 | 0.83 | CYP2A6 (0.38) | — | |
| SCHEMBL14437797 | 0.80 | — | — |
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-20070195576-A1 | Organic compound having functional groups different in elimination reactivity at both terminals, organic thin film, organic device and method of producing the same | SHARP KABUSHIKI KAISHA (JP) | 2007-08-23 | — | — | US | disclosed |