⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10627394 | 0.85 | — | — | |
| SCHEMBL3858477 | 0.83 | — | — | |
| SCHEMBL550997 | 0.74 | — | — | |
| SCHEMBL9300973 | 0.74 | — | — | |
| SCHEMBL14055709 | 0.74 | — | — | |
| SCHEMBL8469565 | 0.73 | SLC6A2 (0.34) | — | |
| Alcohol SCHEMBL1226116 | 0.72 | AKR1B1 (0.31) | — | |
| SCHEMBL6843784 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL875561 | 0.70 | — | — | |
| SCHEMBL8520894 | 0.69 | HIF1A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5380597-A | Multilayer glazing, polymers with polyvinyl acetal | ARCO CHEMICAL TECHNOLOGY L.P. (US) | 1995-01-10 | — | — | US | disclosed |
| US-5332774-A | Ethers and alcohols as plasticizers | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1994-07-26 | — | — | US | disclosed |