⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3656904 | 0.75 | — | — | |
| SCHEMBL74653 | 0.66 | — | — | |
| SCHEMBL3707062 | 0.65 | — | — | |
| SCHEMBL3102511 | 0.62 | — | — | |
| SCHEMBL1302083 | 0.62 | — | — | |
| SCHEMBL734143 | 0.60 | — | — | |
| SCHEMBL701871 | 0.60 | — | — | |
| SCHEMBL9644026 | 0.60 | TSHR (0.43) | — | |
| SCHEMBL30793913 | 0.59 | — | — | |
| SCHEMBL15861576 | 0.59 | — | — |
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-20110092554-A1 | 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS | ENVIVO PHARMACEUTICALS, INC. | 2011-04-21 | — | — | US | disclosed |