⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4261757 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL4257327 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL689599 | 1.00 | — | — | |
| SCHEMBL4260879 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL4262599 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL4258822 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL4258058 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL4261588 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL4262604 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL4254128 | 1.00 | ALDH1A1 (0.38) | — |
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-8084625-B2 | Crosslinking agent, crosslinking method, method of controlling gene expression, and method of examining gene function | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2011-12-27 | — | — | US | disclosed |
| US-20090023140-A1 | CROSSLINKING AGENT, CROSSLINKING METHOD, METHOD OF CONTROLLING GENE EXPRESSION, AND METHOD OF EXAMINING GENE FUNCTION | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2009-01-22 | — | — | US | disclosed |