⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6202960 | 0.68 | — | — | |
| SCHEMBL6908818 | 0.54 | — | — | |
| SCHEMBL1649673 | 0.51 | — | — | |
| SCHEMBL28309491 | 0.46 | — | — | |
| Hydroquinone SCHEMBL8536783 | 0.44 | LTA4H (0.52) | — | |
| Hydroquinone SCHEMBL11136724 | 0.44 | LTA4H (0.52) | — | |
| SCHEMBL5045214 | 0.44 | — | — | |
| Hydroquinone SCHEMBL1236490 | 0.44 | LTA4H (0.52) | — | |
| SCHEMBL7153216 | 0.44 | — | — | |
| Hydroquinone SCHEMBL60032 | 0.44 | LTA4H (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080138866-A1 | Process for the Preparation of (R)-4,4-Dialkoxy-Pyran-3-Ols Such as (R)-4,4-Dimethoxy-Pyran-3-Ol | MERCK SHARP & DOHME CORP. | 2008-06-12 | — | — | US | disclosed |
| EP-1861386-A1 | PROCESS FOR THE PREPARATION OF (R)-4,4-DIALKOXY-PYRAN-3-OLS SUCH AS (R)-4,4-DIMETHOXY-PYRAN-3-OL | Merck & Co., Inc. (US) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006098959-A1 | PROCESS FOR THE PREPARATION OF (R)-4,4-DIALKOXY-PYRAN-3-OLS SUCH AS (R)-4,4-DIMETHOXY-PYRAN-3-OL | MERCK & CO., INC. (US) | 2006-09-21 | — | — | WO | disclosed |