⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11643728 | 0.72 | FUCA1 (0.30) | — | |
| SCHEMBL9767558 | 0.72 | FUCA1 (0.30) | — | |
| SCHEMBL7397964 | 0.69 | — | — | |
| SCHEMBL3286331 | 0.69 | — | — | |
| SCHEMBL7085441 | 0.67 | — | — | |
| SCHEMBL11002293 | 0.67 | — | — | |
| SCHEMBL4644591 | 0.65 | — | — | |
| SCHEMBL5380128 | 0.64 | — | — | |
| SCHEMBL13735734 | 0.64 | — | — | |
| SCHEMBL7317756 | 0.61 | — | — |
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-0354904-A1 | INOSITOL PHOSPHATE ANALOGUES | 3i RESEARCH EXPLOITATION LIMITED (GB) | 1990-02-21 | — | — | EP | disclosed |
| WO-1988007047-A1 | INOSITOL PHOSPHATE ANALOGUES | RESEARCH CORPORATION LIMITED (GB) | 1988-09-22 | — | — | WO | disclosed |