⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6532519 | 0.79 | CYP2D6 (0.30) | — | |
| SCHEMBL13620855 | 0.75 | GABRA1 (0.33) | — | |
| SCHEMBL2107697 | 0.72 | VCAM1 (0.37) | — | |
| SCHEMBL13620854 | 0.69 | GABRA1 (0.36) | — | |
| SCHEMBL1525358 | 0.68 | ESR1 (0.56) | — | |
| SCHEMBL8104506 | 0.68 | IDO1 (0.36) | — | |
| SCHEMBL503283 | 0.68 | NOS3 (0.47) | — | |
| SCHEMBL27896470 | 0.67 | CYP2A6 (0.61) | — | |
| SCHEMBL31529674 | 0.67 | TRPA1 (0.34) | — | |
| SCHEMBL8645452 | 0.66 | GABRA1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009143328-A2 | ON WIRE LITHOGRAPHY-BASED MOLECULAR TRANSPORT JUNCTIONS | NORTHWESTERN UNIVERSITY (US) | 2009-11-26 | — | — | WO | disclosed |