⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31552 | 0.59 | — | — | |
| SCHEMBL8216694 | 0.59 | — | — | |
| SCHEMBL1944398 | 0.54 | — | — | |
| Fluoromethane SCHEMBL9063037 | 0.54 | — | — | |
| SCHEMBL2758353 | 0.54 | — | — | |
| SCHEMBL13716379 | 0.54 | — | — | |
| SCHEMBL19550 | 0.54 | — | — | |
| SCHEMBL12211325 | 0.54 | — | — | |
| SCHEMBL10902635 | 0.50 | — | — | |
| SCHEMBL11765222 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110144032-A1 | BIOLOGICAL APPLICATIONS OF STEROID BINDING DOMAINS | HOVENS CHRISTOPHER | 2011-06-16 | — | — | US | disclosed |