⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19255678 | 1.00 | — | — | |
| SCHEMBL8573639 | 0.82 | LMNA (0.53) | — | |
| SCHEMBL12189721 | 0.80 | PDE4A (0.58) | — | |
| SCHEMBL8838749 | 0.80 | PDE4A (0.58) | — | |
| SCHEMBL17070297 | 0.80 | PDE4A (0.58) | — | |
| SCHEMBL8720722 | 0.80 | PDE4A (0.58) | — | |
| SCHEMBL31572020 | 0.80 | PDE4A (0.58) | — | |
| SCHEMBL586743 | 0.78 | TDP1 (0.60) | — | |
| Benzene SCHEMBL28113402 | 0.76 | PDE4A (0.54) | — | |
| SCHEMBL11396886 | 0.75 | LMNA (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170247340-A1 | Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof | LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY | 2017-08-31 | — | — | US | disclosed |
| US-20120128556-A1 | Oxine Modified Silican Polyamine Composites for the Separation of Gallium from Aluminum, Ferric From Nickel and Copper from Nickel | THE UNIVERSITY OF MONTANA | 2012-05-24 | — | — | US | disclosed |