⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21550772 | 0.74 | CYP2C19 (0.32) | — | |
| SCHEMBL330935 | 0.67 | — | — | |
| Acrylic Acid SCHEMBL7198697 | 0.67 | LMNA (0.67) | — | |
| SCHEMBL29068399 | 0.67 | — | — | |
| SCHEMBL20774077 | 0.65 | LMNA (0.44) | — | |
| SCHEMBL5407780 | 0.65 | — | — | |
| SCHEMBL8158870 | 0.65 | — | — | |
| SCHEMBL25095534 | 0.63 | — | — | |
| SCHEMBL6080520 | 0.63 | — | — | |
| Acrylic Acid SCHEMBL30539473 | 0.63 | LMNA (0.71) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170313669-A1 | LACTONE COMPOUNDS AND METHODS OF MAKING AND USING SAME | THE SCRIPPS RESEARCH INSTITUTE | 2017-11-02 | — | — | US | disclosed |
| US-20170313669-A1 | LACTONE COMPOUNDS AND METHODS OF MAKING AND USING SAME | THE SCRIPPS RESEARCH INSTITUTE | 2017-11-02 | — | — | US | disclosed |
| US-20170235034-A1 | PHOTO-STABLE AND THERMALLY-STABLE DYE COMPOUNDS FOR SELECTIVE BLUE LIGHT FILTERED OPTIC | FRONTIER SCIENTIFIC, INC. (US) | 2017-08-17 | — | — | US | disclosed |
| US-9683102-B2 | Photo-stable and thermally-stable dye compounds for selective blue light filtered optic | FRONTIER SCIENTIFIC, INC. (US) | 2017-06-20 | — | — | US | disclosed |
| US-20150316688-A1 | PHOTO-STABLE AND THERMALLY-STABLE DYE COMPOUNDS FOR SELECTIVE BLUE LIGHT FILTERED OPTIC | FRONTIER SCIENTIFIC, INC. (US) | 2015-11-05 | — | — | US | disclosed |