⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6903585 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL31296892 | 0.58 | FFAR3 (0.41) | — | |
| SCHEMBL22077249 | 0.58 | FFAR3 (0.31) | — | |
| SCHEMBL22077237 | 0.55 | FFAR3 (0.38) | — | |
| SCHEMBL31303951 | 0.54 | FFAR3 (0.36) | — | |
| SCHEMBL31303950 | 0.54 | FFAR3 (0.36) | — | |
| Bicarbonate SCHEMBL10448567 | 0.54 | — | — | |
| SCHEMBL8996032 | 0.53 | TPMT (0.31) | — | |
| SCHEMBL3915816 | 0.52 | — | — | |
| Bicarbonate SCHEMBL10607931 | 0.52 | FFAR3 (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 |
|---|---|---|---|---|---|---|---|
| EP-0852498-A1 | PHOSPHORYLAMIDES, THEIR PREPARATION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-07-15 | — | — | EP | disclosed |
| WO-1997011705-A1 | PHOSPHORYLAMIDES, THEIR PREPARATION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-04-03 | — | — | WO | disclosed |