⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4631 | 0.89 | — | — | |
| SCHEMBL28140432 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27714734 | 0.87 | — | — | |
| SCHEMBL28608353 | 0.87 | — | — | |
| SCHEMBL27492589 | 0.87 | — | — | |
| SCHEMBL27982711 | 0.85 | — | — | |
| SCHEMBL27669210 | 0.85 | — | — | |
| SCHEMBL28312920 | 0.82 | — | — | |
| SCHEMBL28088257 | 0.82 | ACHE (0.34) | — | |
| SCHEMBL3696552 | 0.80 | — | — |
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-1997618-A | Compounds with activity at estrogen receptors | ACADIA PHARM INC (US) | 2007-07-11 | — | — | CN | disclosed |