⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7158784 | 0.77 | — | — | |
| SCHEMBL5447781 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL10757691 | 0.71 | — | — | |
| SCHEMBL6841296 | 0.71 | — | — | |
| SCHEMBL9718371 | 0.70 | — | — | |
| SCHEMBL8597260 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL525825 | 0.68 | — | — | |
| SCHEMBL636656 | 0.68 | — | — | |
| SCHEMBL11501282 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27735934 | 0.65 | — | — |
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-5080690-A | Polymer supported 1-alkyl-N,N-dialkyl aminoalcohols and fuel compositions containing same | MOBIL OIL CORP. (US) | 1992-01-14 | — | — | US | disclosed |