⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19180779 | 0.99 | — | — | |
| SCHEMBL9764324 | 0.81 | PTPRC (0.35) | — | |
| SCHEMBL5013668 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL3076219 | 0.77 | — | — | |
| SCHEMBL28218445 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL28267207 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL28088146 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL16340062 | 0.76 | — | — | |
| SCHEMBL311441 | 0.76 | — | — | |
| SCHEMBL1945083 | 0.75 | ALDH1A1 (0.36) | — |
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-6603070-B2 | Convergent method for the synthesis of light harvesting rods. The rods are oligomers of the formula A1(Ab+1)b, wherein b is at least 1, A1 through Ab+1 are covalently coupled rod segments, and each rod segment A1 through A1+b comprises a | NORTH CAROLINA STATE UNIVERSITY | 2003-08-05 | — | — | US | disclosed |
| US-20030111108-A1 | Convergent synthesis of multiporphyrin light-harvesting rods | UNITED STATES DEPARTMENT OF ENERGY | 2003-06-19 | — | — | US | disclosed |