⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22733358 | 0.73 | — | — | |
| SCHEMBL24119836 | 0.71 | — | — | |
| SCHEMBL24406567 | 0.70 | — | — | |
| SCHEMBL21691020 | 0.59 | GPBAR1 (0.42) | — | |
| SCHEMBL16092470 | 0.59 | ACHE (0.40) | — | |
| SCHEMBL20644727 | 0.58 | — | — | |
| SCHEMBL21691022 | 0.56 | — | — | |
| SCHEMBL13685959 | 0.56 | PLA2G2A (0.36) | — | |
| SCHEMBL13685964 | 0.54 | ACHE (0.34) | — | |
| SCHEMBL16396441 | 0.53 | PIM1 (0.40) | — |
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-20190100642-A1 | ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS | UNITED STATES OF AMERICA AS REPRENSETED BY THE ADMINISTRATOR OF NASA | 2019-04-04 | — | — | US | disclosed |