⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21691072 | 0.93 | — | — | |
| SCHEMBL19061833 | 0.91 | ADRB2 (0.32) | — | |
| SCHEMBL17772787 | 0.86 | MEN1 (0.36) | — | |
| SCHEMBL24626835 | 0.84 | — | — | |
| SCHEMBL17772786 | 0.83 | MEN1 (0.34) | — | |
| SCHEMBL25871382 | 0.83 | MEN1 (0.34) | — | |
| SCHEMBL16089768 | 0.82 | SLC7A5 (0.34) | — | |
| SCHEMBL18658373 | 0.80 | MEN1 (0.32) | — | |
| SCHEMBL17772788 | 0.79 | HIF1A (0.32) | — | |
| SCHEMBL25871391 | 0.79 | HIF1A (0.32) | — |
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 |