⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15087684 | 0.81 | NANP (0.36) | — | |
| SCHEMBL16362520 | 0.81 | NANP (0.36) | — | |
| SCHEMBL17715100 | 0.65 | NANP (0.42) | — | |
| SCHEMBL17471042 | 0.65 | L3MBTL1 (0.45) | — | |
| SCHEMBL19969702 | 0.65 | L3MBTL1 (0.33) | — | |
| SCHEMBL19067256 | 0.64 | CD22 (0.42) | — | |
| SCHEMBL18934900 | 0.64 | CD22 (0.42) | — | |
| SCHEMBL1204652 | 0.63 | NANP (0.56) | — | |
| SCHEMBL29392242 | 0.61 | L3MBTL1 (0.42) | — | |
| SCHEMBL22023539 | 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-2797946-B1 | SIALIC ACID DIMERS | BROSSMER REINHARD (DE) | 2016-05-04 | — | — | EP | disclosed |
| WO-2013097942-A1 | SIALIC ACID DIMERS | BROSSMER REINHARD (DE) | 2013-07-04 | — | — | WO | disclosed |