⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9999266 | 0.81 | CYP3A4 (0.32) | — | |
| SCHEMBL9999432 | 0.71 | ESR2 (0.31) | — | |
| SCHEMBL9998070 | 0.69 | ESR2 (0.32) | — | |
| SCHEMBL16237716 | 0.67 | ESR2 (0.37) | — | |
| SCHEMBL8065608 | 0.67 | ESR2 (0.37) | — | |
| SCHEMBL8997801 | 0.66 | — | — | |
| SCHEMBL9999130 | 0.65 | ESR2 (0.35) | — | |
| SCHEMBL11193223 | 0.65 | CYP3A4 (0.35) | — | |
| SCHEMBL13839714 | 0.64 | TP53 (0.34) | — | |
| SCHEMBL13841206 | 0.64 | TP53 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5547960-A | ACETYLCHOLINESTERASE INHIBITORS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 1996-08-20 | — | — | US | disclosed |