⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23976251 | 0.62 | — | — | |
| SCHEMBL13063472 | 0.60 | — | — | |
| SCHEMBL6232867 | 0.57 | — | — | |
| SCHEMBL6586464 | 0.56 | — | — | |
| SCHEMBL150783 | 0.55 | — | — | |
| SCHEMBL2379600 | 0.55 | — | — | |
| SCHEMBL14420178 | 0.55 | — | — | |
| SCHEMBL6058703 | 0.55 | ALDH1A1 (0.34) | — | |
| SCHEMBL18287541 | 0.54 | — | — | |
| SCHEMBL20411910 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021041107-A1 | COMPOUNDS FOR SELECTIVE BINDING TO ESTROGEN RECEPTORS ALPHA/BETA RELATIVE TO GPER/GPR30 | UNM RAINFOREST INNOVATIONS (US) | 2021-03-04 | — | — | WO | disclosed |