⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6007857 | 0.82 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL5507699 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL9339493 | 0.77 | — | — | |
| SCHEMBL4375192 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL7164576 | 0.69 | — | — | |
| SCHEMBL16500480 | 0.69 | — | — | |
| SCHEMBL10495561 | 0.69 | — | — | |
| SCHEMBL6703959 | 0.67 | — | — | |
| SCHEMBL527872 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL1489101 | 0.63 | ALDH1A1 (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004024671-A1 | METHOD FOR THE PRODUCTION OF DIALKYL AMINO ETHERS | SASOL GERMANY GMBH (DE) | 2004-03-25 | — | — | WO | claimed |
| WO-2004024671-A1 | METHOD FOR THE PRODUCTION OF DIALKYL AMINO ETHERS | SASOL GERMANY GMBH (DE) | 2004-03-25 | — | — | WO | disclosed |
| US-4377648-A | YARNS; FILAMENTS; FIBERS; TEXTILES; SOLUTION SPINNING | RHONE-POULENC-TEXTILE (FR) | 1983-03-22 | — | — | US | disclosed |
| US-4256684-A | WET SPINNING, STRETCHING, WASHING, SIZING, STEAMING, AND CRIMPING | RHONE-POULENC TEXTILE (FR) | 1981-03-17 | — | — | US | disclosed |
| US-3984515-A | Polyacrylonitrile fibers having a natural crimp and process for producing the same | AKZO BELGE S.A. (BE) | 1976-10-05 | — | — | US | disclosed |