⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL722089 | 0.94 | — | — | |
| SCHEMBL17289466 | 0.69 | — | — | |
| Benzoquinone SCHEMBL634841 | 0.59 | — | — | |
| Benzoquinone SCHEMBL18039364 | 0.59 | ALDH1A1 (0.89) | — | |
| Benzoquinone SCHEMBL7264876 | 0.59 | ALDH1A1 (0.89) | — | |
| Ammonia Solution, Strong SCHEMBL487532 | 0.54 | — | — | |
| Ammonia Solution, Strong SCHEMBL9384792 | 0.54 | — | — | |
| SCHEMBL29525411 | 0.47 | KDM4E (0.40) | — | |
| SCHEMBL29525891 | 0.47 | KDM4E (0.40) | — | |
| Oxygen SCHEMBL27480441 | 0.41 | — | — |
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-8426649-B2 | Cyclopropenones and the photochemical generation of cyclic alkynes therefrom | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2013-04-23 | — | — | US | disclosed |
| US-20120053299-A1 | Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2012-03-01 | — | — | US | disclosed |