⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7327944 | 0.85 | SPHK1 (0.45) | — | |
| SCHEMBL22838184 | 0.82 | SPHK1 (0.41) | — | |
| SCHEMBL27493678 | 0.81 | SPHK1 (0.57) | — | |
| SCHEMBL11298441 | 0.80 | LMNA (0.46) | — | |
| SCHEMBL15178185 | 0.80 | LMNA (0.46) | — | |
| SCHEMBL31509452 | 0.80 | LMNA (0.46) | — | |
| SCHEMBL6236266 | 0.79 | — | — | |
| SCHEMBL10790556 | 0.78 | — | — | |
| SCHEMBL13210315 | 0.78 | — | — | |
| SCHEMBL1932898 | 0.78 | — | — |
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-7230129-B2 | Process for the preparation of optically pure isomers of 2-(4-hydroxy phenoxy)-2-methyl-butyric acid methyl ester | DR. REDDY'S LABORATORIES LIMITED (IN) | 2007-06-12 | — | — | US | claimed |
| US-20060194980-A1 | Process for the preparation of optically pure isomers of 2-(4-hydroxy phenoxy)-2-methyl-butyric acid methyl ester | DR. REDDY'S LABORATORIES LIMITED (IN) | 2006-08-31 | — | — | US | claimed |
| EP-1506962-B1 | Nitrogen-containing aromatic heterocycles | EISAI R&D MAN CO LTD (JP) | 2008-07-02 | — | — | EP | disclosed |
| US-7230129-B2 | Process for the preparation of optically pure isomers of 2-(4-hydroxy phenoxy)-2-methyl-butyric acid methyl ester | DR. REDDY'S LABORATORIES LIMITED (IN) | 2007-06-12 | — | — | US | disclosed |
| US-20060194980-A1 | Process for the preparation of optically pure isomers of 2-(4-hydroxy phenoxy)-2-methyl-butyric acid methyl ester | DR. REDDY'S LABORATORIES LIMITED (IN) | 2006-08-31 | — | — | US | disclosed |