⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8773377 | 0.83 | — | — | |
| SCHEMBL14900988 | 0.82 | — | — | |
| SCHEMBL15439899 | 0.75 | — | — | |
| SCHEMBL15439900 | 0.75 | — | — | |
| SCHEMBL19441880 | 0.71 | — | — | |
| SCHEMBL5918577 | 0.71 | — | — | |
| SCHEMBL35238 | 0.71 | — | — | |
| SCHEMBL2480102 | 0.71 | HIF1A (0.64) | — | |
| SCHEMBL20598642 | 0.69 | — | — | |
| SCHEMBL14900987 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070087446-A1 | Aromatic phosphonium salts and their use as labeling reagents in mass spectrometry analysis | WATERS INVESTMENTS LIMITED (US) | 2007-04-19 | — | — | US | disclosed |