⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6448758 | 0.75 | CA12 (0.52) | — | |
| SCHEMBL3893416 | 0.75 | — | — | |
| SCHEMBL887902 | 0.74 | — | — | |
| SCHEMBL80292 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL7063437 | 0.71 | — | — | |
| SCHEMBL23468497 | 0.70 | CYP2C19 (0.63) | — | |
| SCHEMBL7720049 | 0.70 | — | — | |
| SCHEMBL1300951 | 0.70 | — | — | |
| SCHEMBL3896407 | 0.70 | — | — | |
| SCHEMBL23468499 | 0.70 | CYP2C19 (0.60) | — |
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-10329378-B2 | Graphene nanoribbons with controlled zig-zag edge and cove edge configuration | BASF SE (DE) | 2019-06-25 | — | — | US | disclosed |
| US-20170051101-A1 | GRAPHENE NANORIBBONS WITH CONTROLLED ZIG-ZAG EDGE AND COVE EDGE CONFIGURATION | BASF SE (DE) | 2017-02-23 | — | — | US | disclosed |