⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL775718 | 0.69 | — | — | |
| SCHEMBL1766508 | 0.67 | — | — | |
| SCHEMBL1138752 | 0.64 | SLC22A6 (0.36) | — | |
| SCHEMBL6777870 | 0.64 | SLC22A6 (0.36) | — | |
| SCHEMBL7657072 | 0.64 | CA2 (0.40) | — | |
| SCHEMBL15754776 | 0.63 | SLC22A6 (0.34) | — | |
| SCHEMBL15263172 | 0.62 | CA12 (0.30) | — | |
| SCHEMBL9945810 | 0.62 | FDPS (0.33) | — | |
| SCHEMBL9946298 | 0.62 | FDPS (0.33) | — | |
| Silver SCHEMBL29887636 | 0.61 | NFKB1 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006005633-A1 | COMBINATIONS OF PURE ANTI-ESTROGEN WITH AROMATASE INHIBITORS | PROSKELIA S.A.S. (FR) | 2006-01-19 | — | — | WO | disclosed |