⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18600818 | 1.00 | — | — | |
| SCHEMBL51213 | 1.00 | — | — | |
| SCHEMBL16202107 | 1.00 | — | — | |
| SCHEMBL6534606 | 1.00 | — | — | |
| SCHEMBL8767645 | 1.00 | — | — | |
| SCHEMBL13941500 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL13020684 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL12923257 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL14845413 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL25739835 | 0.82 | ALDH1A1 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0609025-B1 | Process for producing optically active epoxy alcohol derivatives | ARCO CHEM TECH (US) | 1996-04-17 | — | — | EP | claimed |
| EP-0609025-A1 | Process for producing optically active epoxy alcohol derivatives | ARCO Chemical Technology, L.P. (US) | 1994-08-03 | — | — | EP | claimed |
| US-5252759-A | Reacting with organic sulfonyl halide to produce organic sulfonate | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1993-10-12 | — | — | US | claimed |
| WO-2013092224-A1 | USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI RESISTANT TO QO INHIBITORS | BASF SE (DE) | 2013-06-27 | — | — | WO | disclosed |
| EP-0454463-B1 | Process for producing epoxyalcohols of high optical purity | ARCO CHEM TECH (US) | 1997-08-13 | — | — | EP | disclosed |
| US-5278070-A | Process for producing epoxyalcohols of high optical purity | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1994-01-11 | — | — | US | disclosed |
| EP-0454463-A2 | Process for producing epoxyalcohols of high optical purity | ARCO Chemical Technology, L.P. (US) | 1991-10-30 | — | — | EP | disclosed |