⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9304243 | 0.86 | LAP3 (0.30) | — | |
| SCHEMBL17680094 | 0.85 | — | — | |
| SCHEMBL18193259 | 0.83 | — | — | |
| SCHEMBL17680084 | 0.83 | — | — | |
| SCHEMBL18306213 | 0.83 | — | — | |
| SCHEMBL17680103 | 0.81 | — | — | |
| SCHEMBL18193237 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL17680065 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL17680068 | 0.77 | — | — | |
| SCHEMBL18193184 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3006448-A1 | PHOSPHOROUS-CONTAINING COMPUNDS AND USES THEREOF | Afton Chemical Corporation (US) | 2016-04-13 | — | — | EP | disclosed |