⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30413234 | 0.92 | CYP2B6 (0.37) | — | |
| SCHEMBL812845 | 0.76 | OPRD1 (0.32) | — | |
| SCHEMBL21469894 | 0.75 | — | — | |
| SCHEMBL6687936 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4184960 | 0.73 | — | — | |
| SCHEMBL3593852 | 0.69 | — | — | |
| SCHEMBL3873640 | 0.69 | — | — | |
| SCHEMBL4209392 | 0.69 | — | — | |
| SCHEMBL2272088 | 0.69 | — | — | |
| SCHEMBL680043 | 0.67 | — | — |
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-116964049-A | Estrogen receptor modulators | 里科瑞尔姆IP控股有限责任公司 | 2023-10-27 | — | — | CN | disclosed |