⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL75645 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL221036 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL20703229 | 0.74 | — | — | |
| SCHEMBL14801159 | 0.72 | — | — | |
| SCHEMBL3208703 | 0.67 | — | — | |
| SCHEMBL8226564 | 0.67 | — | — | |
| SCHEMBL11372652 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL69189 | 0.65 | — | — | |
| Water SCHEMBL7761927 | 0.64 | — | — | |
| Bromide SCHEMBL9130318 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2580202-B1 | PROCESS FOR THE PREPARATION AND ISOLATION OF 2-SUBSTITUTED TETRAHYDROPYRANOLS | BASF SE (DE) | 2014-07-30 | — | — | EP | disclosed |
| EP-2432773-B1 | Process for producing 2-substituted tetrahydropyranoles | BASF SE (DE) | 2013-08-28 | — | — | EP | disclosed |
| EP-2580202-A1 | PROCESS FOR THE PREPARATION AND ISOLATION OF 2-SUBSTITUTED TETRAHYDROPYRANOLS | BASF SE (DE) | 2013-04-17 | — | — | EP | disclosed |
| EP-2432773-A1 | METHOD FOR PRODUCING 2-SUBSTITUTED TETRAHYDROPYRANOLES | BASF SE (DE) | 2012-03-28 | — | — | EP | disclosed |
| WO-2011154330-A1 | PROCESS FOR THE PREPARATION AND ISOLATION OF 2-SUBSTITUTED TETRAHYDROPYRANOLS | BASF SE (DE) | 2011-12-15 | — | — | WO | disclosed |
| WO-2010133473-A1 | METHOD FOR PRODUCING 2-SUBSTITUTED TETRAHYDROPYRANOLES | BASF SE (DE) | 2010-11-25 | — | — | WO | disclosed |