⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9860569 | 1.00 | — | — | |
| SCHEMBL9860573 | 1.00 | — | — | |
| SCHEMBL15344659 | 0.71 | — | — | |
| SCHEMBL3276692 | 0.69 | TRPA1 (0.30) | — | |
| SCHEMBL3276691 | 0.69 | TRPA1 (0.30) | — | |
| SCHEMBL11812701 | 0.69 | — | — | |
| SCHEMBL23039709 | 0.67 | — | — | |
| SCHEMBL23039732 | 0.67 | — | — | |
| SCHEMBL9676945 | 0.67 | — | — | |
| SCHEMBL23039696 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9556085-B2 | Graphene nanoribbons derived from poly(phenylene ethynylene) polymer, methods of making same, and uses thereof | CORNELL UNIVERSITY (US) | 2017-01-31 | — | — | US | disclosed |
| US-20140212668-A1 | GRAPHENE NANORIBBONS, METHODS OF MAKING SAME, AND USES THEREOF | CORNELL UNIVERSITY (US) | 2014-07-31 | — | — | US | disclosed |