⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL283398 | 1.00 | — | — | |
| SCHEMBL10743716 | 1.00 | — | — | |
| Bicarbonate SCHEMBL29012511 | 0.89 | OR51E2 (0.38) | — | |
| Acetone SCHEMBL11165964 | 0.89 | TSHR (0.32) | — | |
| SCHEMBL11243449 | 0.84 | KDM4E (0.30) | — | |
| SCHEMBL5873440 | 0.80 | TDP1 (0.39) | — | |
| SCHEMBL11145481 | 0.80 | TDP1 (0.39) | — | |
| SCHEMBL10757814 | 0.80 | — | — | |
| SCHEMBL27922867 | 0.80 | TDP1 (0.39) | — | |
| SCHEMBL11412390 | 0.80 | TDP1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008157330-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008157273-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008157273-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |
| US-4691032-A | DIMETHYL- AND TETRAMETHYL-1,3-DIOXOLANE-4-CARBOXALDEHYDES | HOFFMANN-LA ROCHE INC. (US) | 1987-09-01 | — | — | US | disclosed |
| US-4568491-A | FOR VITAMIN D3 SYNTHESIS | HOFFMANN-LA ROCHE INC. (US) | 1986-02-04 | — | — | US | disclosed |
| EP-0063678-B1 | PROCESS FOR THE PREPARATION OF CHOLESTEROL DERIVATIVES, AND INTERMEDIATE DERIVATIVES THEREFOR | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-08-21 | — | — | EP | disclosed |
| EP-0063678-A2 | Process for the preparation of cholesterol derivatives, and intermediate derivatives therefor | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-11-03 | — | — | EP | disclosed |