⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2161000 | 0.88 | — | — | |
| SCHEMBL512396 | 0.78 | — | — | |
| SCHEMBL1110186 | 0.72 | — | — | |
| SCHEMBL22391 | 0.69 | — | — | |
| SCHEMBL2417619 | 0.69 | — | — | |
| SCHEMBL28884463 | 0.67 | — | — | |
| SCHEMBL8960358 | 0.67 | — | — | |
| Benzene SCHEMBL19899810 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL16499796 | 0.67 | — | — | |
| SCHEMBL6549803 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143254-B2 | Methods for modulating ion channels | CORNELL RESEARCH FOUNDATION, INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-7507480-B2 | Corrosion-resistant metal surfaces | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2009-03-24 | — | — | US | disclosed |
| US-20090005386-A1 | Methods for Modulating Ion Channels | PACE UNIVERSITY | 2009-01-01 | — | — | US | disclosed |
| US-20060269760-A1 | Corrosion-resistant metal surfaces | ENERGY, UNITED STATES DEPARTMENT OF | 2006-11-30 | — | — | US | disclosed |
| WO-2006089168-A2 | METHODS FOR MODULATING ION CHANNELS | CORNELL RESEARCH FOUNDATION, INC. (US) | 2006-08-24 | — | — | WO | disclosed |
| EP-0693284-A1 | PROSTACYCLIN-CONTAINING OLEAGINOUS OINTMENT | TEIJIN LIMITED (JP) | 1996-01-24 | — | — | EP | disclosed |