⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL256838 | 0.65 | — | — | |
| SCHEMBL18806997 | 0.65 | — | — | |
| SCHEMBL23893010 | 0.63 | — | — | |
| SCHEMBL6885257 | 0.63 | — | — | |
| SCHEMBL18806994 | 0.63 | — | — | |
| SCHEMBL13233137 | 0.63 | — | — | |
| SCHEMBL19346103 | 0.60 | — | — | |
| SCHEMBL2041026 | 0.60 | — | — | |
| SCHEMBL2041661 | 0.60 | — | — | |
| SCHEMBL24737745 | 0.56 | — | — |
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-2702993-B1 | MACROCYCLIC LACTONE COMPOUNDS AND METHODS FOR THEIR USE | ELIXIR MEDICAL CORP (US) | 2017-12-06 | — | — | EP | disclosed |
| US-20160130254-A1 | NOVEL CYP17 INHIBITORS/ANTIANDROGENS | ORION CORPORATION (FI) | 2016-05-12 | — | — | US | disclosed |