⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28935606 | 0.80 | — | — | |
| SCHEMBL28963268 | 0.80 | LMNA (0.30) | — | |
| SCHEMBL16774730 | 0.74 | CDC7 (0.43) | — | |
| SCHEMBL16774585 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL20440027 | 0.69 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL22650225 | 0.68 | USP2 (0.31) | — | |
| SCHEMBL28935738 | 0.64 | RAB9A (0.37) | — | |
| SCHEMBL19457945 | 0.64 | HCAR2 (0.46) | — | |
| SCHEMBL345613 | 0.64 | KDM4E (0.36) | — | |
| SCHEMBL5389626 | 0.62 | HDAC1 (0.31) | — |
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-115611895-A | Arylamino derivative estrogen receptor modulators and uses thereof | 四川海思科制药有限公司 | 2023-01-17 | — | — | CN | disclosed |