⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25429060 | 0.69 | — | — | |
| SCHEMBL28149537 | 0.67 | — | — | |
| SCHEMBL11399657 | 0.67 | — | — | |
| SCHEMBL24828275 | 0.67 | — | — | |
| SCHEMBL8174055 | 0.67 | — | — | |
| SCHEMBL25429844 | 0.63 | — | — | |
| SCHEMBL1393609 | 0.60 | — | — | |
| SCHEMBL163551 | 0.60 | — | — | |
| SCHEMBL8533579 | 0.59 | IDO1 (0.33) | — | |
| SCHEMBL18315590 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105061313-B | Androgen receptor modulating compounds | 奥赖恩公司 | 2017-07-18 | — | — | CN | disclosed |