⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16683947 | 0.76 | — | — | |
| SCHEMBL13351887 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL4607558 | 0.74 | — | — | |
| SCHEMBL20746050 | 0.73 | — | — | |
| SCHEMBL16323044 | 0.73 | — | — | |
| SCHEMBL16944002 | 0.73 | — | — | |
| SCHEMBL13351868 | 0.71 | CA1 (0.41) | — | |
| SCHEMBL14302600 | 0.70 | NOS3 (0.38) | — | |
| SCHEMBL13351867 | 0.70 | KMT2A (0.43) | — | |
| SCHEMBL14427920 | 0.70 | KMT2A (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9890139-B2 | CYP17 inhibitors/antiandrogens | ORION CORPORATION (FI) | 2018-02-13 | — | — | US | disclosed |
| US-20160130254-A1 | NOVEL CYP17 INHIBITORS/ANTIANDROGENS | ORION CORPORATION (FI) | 2016-05-12 | — | — | US | disclosed |
| EP-3008042-A1 | NOVEL CYP17 INHIBITORS/ANTIANDROGENS | Orion Corporation (FI) | 2016-04-20 | — | — | EP | disclosed |
| WO-2014202827-A1 | NOVEL CYP17 INHIBITORS/ANTIANDROGENS | ORION CORPORATION (FI) | 2014-12-24 | — | — | WO | disclosed |