⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9937744 | 1.00 | — | — | |
| SCHEMBL8516393 | 0.74 | — | — | |
| SCHEMBL26091 | 0.65 | — | — | |
| SCHEMBL29642664 | 0.62 | — | — | |
| SCHEMBL448551 | 0.61 | — | — | |
| SCHEMBL15903667 | 0.60 | — | — | |
| SCHEMBL9938341 | 0.60 | — | — | |
| SCHEMBL7631751 | 0.56 | — | — | |
| SCHEMBL28682898 | 0.54 | — | — | |
| SCHEMBL30492230 | 0.54 | MEN1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651916-A2 | C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 | BioMarin Pharmaceutical Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083112-A2 | CYP11B, CYP17, AND/OR CYP21 INHIBITORS | BIOMARIN PHARMACEUTICAL INC. (US) | 2012-06-21 | — | — | WO | disclosed |