⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2707300 | 1.00 | — | — | |
| SCHEMBL16169954 | 0.84 | MGAM (0.37) | — | |
| SCHEMBL12727871 | 0.80 | — | — | |
| SCHEMBL12942810 | 0.77 | MGAM (0.38) | — | |
| SCHEMBL29588088 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL1966339 | 0.76 | EPHX1 (0.44) | — | |
| SCHEMBL14176733 | 0.76 | GAA (0.41) | — | |
| SCHEMBL13059744 | 0.75 | TP53 (0.35) | — | |
| SCHEMBL1573713 | 0.73 | — | — | |
| SCHEMBL743102 | 0.73 | MGAM (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8198069-B2 | Method of producing an optically enriched tertiary alcohol from an epoxide using halohydrin dehalogenase | BASF SE (DE) | 2012-06-12 | — | — | US | disclosed |
| EP-1966385-B1 | A process for the production of an optically enriched tertiary alcohol | BASF SE (DE) | 2012-05-02 | — | — | EP | disclosed |
| US-20080299626-A1 | Process For the Production of an Optically Enriched Tertiary Alcohol | BASF AKTIENGESELLSCHAFT (DE) | 2008-12-04 | — | — | US | disclosed |
| EP-1966385-A2 | A PROCESS FOR THE PRODUCTION OF AN OPTICALLY ENRICHED TERTIARY ALCOHOL | BASF SE (DE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071599-A2 | A PROCESS FOR THE PRODUCTION OF AN OPTICALLY ENRICHED TERTIARY ALCOHOL | BASF SE (DE) | 2007-06-28 | — | — | WO | disclosed |