⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14137790 | 0.87 | — | — | |
| SCHEMBL10718132 | 0.75 | GBA1 (0.43) | — | |
| SCHEMBL6603710 | 0.75 | GBA1 (0.43) | — | |
| SCHEMBL779637 | 0.73 | SLC2A1 (0.34) | — | |
| SCHEMBL1148956 | 0.73 | GBA1 (0.38) | — | |
| SCHEMBL780415 | 0.71 | SLC2A1 (0.38) | — | |
| SCHEMBL776553 | 0.71 | GBA1 (0.44) | — | |
| SCHEMBL8150738 | 0.71 | GBA1 (0.41) | — | |
| SCHEMBL382015 | 0.69 | GBA1 (0.40) | — | |
| SCHEMBL18592645 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6750213-B2 | BONE DISORDERS; UROGENITAL SYSTEM DISORDERS; ANTICANCER AGENTS | MERCK & CO., INC. | 2004-06-15 | — | — | US | disclosed |
| US-20040044226-A1 | Estrogen receptor modulators | DININNO FRANK P (US) | 2004-03-04 | — | — | US | disclosed |
| US-20030225132-A1 | Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders | DININNO FRANK P (US) | 2003-12-04 | — | — | US | disclosed |
| WO-2003086388-A1 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003087073-A1 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| EP-1333827-A2 | ESTROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2003-08-13 | — | — | EP | disclosed |
| EP-1328522-A2 | ESTROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2003-07-23 | — | — | EP | disclosed |
| US-20020165226-A1 | Estrogen receptor modulators | MERCK & CO., INC. | 2002-11-07 | — | — | US | disclosed |
| WO-2002032373-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032377-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2002-04-25 | — | — | WO | disclosed |