⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7946802 | 0.74 | — | — | |
| SCHEMBL7957703 | 0.73 | — | — | |
| SCHEMBL7957603 | 0.67 | — | — | |
| SCHEMBL19248848 | 0.66 | — | — | |
| SCHEMBL7946804 | 0.64 | CES1 (0.30) | — | |
| SCHEMBL24429538 | 0.61 | — | — | |
| SCHEMBL385017 | 0.61 | — | — | |
| SCHEMBL2807296 | 0.61 | — | — | |
| SCHEMBL9677388 | 0.61 | — | — | |
| SCHEMBL2526345 | 0.60 | — | — |
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-6271403-B1 | PURE ANTIESTROGENS, OR ESTROGENIC ANTIESTROGENS WITH ESTROGENIC PARTIAL ACTION. | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-08-07 | — | — | US | disclosed |
| US-5986115-A | STEROIDS WITH FLUORO GROUPS AND ETHER OR ESTER GROUPS | SCHERING AG (DE) | 1999-11-16 | — | — | US | disclosed |
| US-5866560-A | ESTROGEN INHIBITORS; TUMOR THERAPY; HORMONE REPLACEMENT THERAPY | SCHERING AG (DE) | 1999-02-02 | — | — | US | disclosed |