⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9721883 | 0.71 | NOS3 (0.38) | — | |
| SCHEMBL8449 | 0.62 | — | — | |
| SCHEMBL1396725 | 0.61 | — | — | |
| SCHEMBL12135406 | 0.61 | — | — | |
| SCHEMBL22782188 | 0.58 | NOS3 (0.31) | — | |
| SCHEMBL11542538 | 0.55 | — | — | |
| SCHEMBL22590610 | 0.55 | — | — | |
| SCHEMBL3678495 | 0.55 | NOS3 (0.39) | — | |
| SCHEMBL17826992 | 0.54 | TRIM24 (0.41) | — | |
| SCHEMBL2772086 | 0.52 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541625-B2 | Cyclopropenones and the photochemical generation of cyclic alkynes therefrom | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2013-09-24 | — | — | US | disclosed |
| US-20130164803-A9 | CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM | UNIVERSITY OF GEORGE RESEARCH FOUNDATION, INC. (US) | 2013-06-27 | — | — | US | disclosed |
| 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-20120295318-A1 | CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM | UNIVERSITY OF GEORGE RESEARCH FOUNDATION, INC. (US) | 2012-11-22 | — | — | US | disclosed |
| US-8258347-B2 | Cyclopropenones and the photochemical generation of cyclic alkynes therefrom | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2012-09-04 | — | — | 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 |
| US-20100210854-A1 | Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. | 2010-08-19 | — | — | US | disclosed |