⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13233137 | 1.00 | — | — | |
| SCHEMBL6885257 | 1.00 | — | — | |
| SCHEMBL18435480 | 0.70 | — | — | |
| SCHEMBL18404842 | 0.70 | — | — | |
| SCHEMBL24737745 | 0.70 | — | — | |
| SCHEMBL24737755 | 0.70 | — | — | |
| SCHEMBL19070736 | 0.70 | — | — | |
| SCHEMBL23183267 | 0.69 | — | — | |
| SCHEMBL23866737 | 0.69 | — | — | |
| SCHEMBL14307286 | 0.67 | — | — |
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-20170120163-A1 | SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES | PENTRACOR GMBH (DE) | 2017-05-04 | — | — | US | disclosed |