⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14645349 | 0.90 | MEN1 (0.32) | — | |
| SCHEMBL14645393 | 0.82 | MAPT (0.39) | — | |
| SCHEMBL14645355 | 0.71 | MAPT (0.42) | — | |
| SCHEMBL14645357 | 0.71 | MAPT (0.42) | — | |
| SCHEMBL14645642 | 0.71 | TDP1 (0.37) | — | |
| SCHEMBL14646038 | 0.70 | APP (0.39) | — | |
| SCHEMBL14645485 | 0.69 | TDP1 (0.50) | — | |
| SCHEMBL13321986 | 0.69 | TDP1 (0.50) | — | |
| SCHEMBL12958413 | 0.68 | CYP1A2 (0.32) | — | |
| SCHEMBL14645518 | 0.68 | ALDH1A1 (0.31) | — |
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-2013008951-A1 | ORGANIC DYE, DYE-SENSITIZED METAL OXIDE SEMICONDUCTOR ELECTRODE AND DYE-SENSITIZED SOLAR CELL | NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) | 2013-01-17 | — | — | WO | disclosed |