⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28466934 | 0.82 | CA1 (0.31) | — | |
| SCHEMBL541691 | 0.82 | GABRR1 (0.46) | — | |
| Nitrous Acid SCHEMBL4311801 | 0.78 | GABRR1 (0.42) | — | |
| SCHEMBL9349547 | 0.76 | — | — | |
| SCHEMBL2943922 | 0.75 | TDP1 (0.32) | — | |
| SCHEMBL10792704 | 0.74 | — | — | |
| SCHEMBL27599259 | 0.74 | — | — | |
| SCHEMBL5139179 | 0.74 | GABRR1 (0.72) | — | |
| SCHEMBL1364808 | 0.72 | — | — | |
| SCHEMBL10938417 | 0.71 | NAALAD2 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2566856-B1 | COMPOUNDS AND METHODS OF TREATING BRAIN DISORDERS | UNIV ILLINOIS (US) | 2017-02-01 | — | — | EP | disclosed |
| WO-2014113634-A1 | TOLL-LIKE RECEPTOR 2-AGONISTIC LIPOPEPTIDES, AND METHOD OF MAKING THE SAME | UNIVERSITY OF KANSAS (US) | 2014-07-24 | — | — | WO | disclosed |