⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13618129 | 1.00 | — | — | |
| SCHEMBL13618127 | 0.94 | — | — | |
| SCHEMBL13618119 | 0.77 | PIK3CD (0.31) | — | |
| SCHEMBL13618120 | 0.77 | — | — | |
| SCHEMBL13618125 | 0.77 | THRB (0.38) | — | |
| SCHEMBL10612203 | 0.77 | — | — | |
| SCHEMBL29689415 | 0.73 | THRB (0.39) | — | |
| SCHEMBL669602 | 0.73 | — | — | |
| SCHEMBL20641609 | 0.73 | — | — | |
| SCHEMBL1250515 | 0.73 | CA2 (0.32) | — |
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-20090276965-A1 | Glyoxal-alkyl polyglycol ether acetals | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2009-11-12 | — | — | US | disclosed |