⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4182117 | 0.71 | — | — | |
| SCHEMBL93160 | 0.69 | — | — | |
| SCHEMBL13196737 | 0.69 | — | — | |
| SCHEMBL13653236 | 0.69 | — | — | |
| SCHEMBL13196741 | 0.67 | — | — | |
| SCHEMBL1821830 | 0.64 | — | — | |
| SCHEMBL13890102 | 0.63 | — | — | |
| SCHEMBL15344253 | 0.63 | — | — | |
| SCHEMBL450342 | 0.62 | — | — | |
| SCHEMBL7869221 | 0.62 | — | — |
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-20160172068-A1 | CONDUCTORS COMPRISING A FUNCTIONALIZED ORGANOSILOXANE NETWORK AND METHODS FOR THE PREPARATION THEREOF | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2016-06-16 | — | — | US | disclosed |