⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6888630 | 0.80 | — | — | |
| SCHEMBL28401927 | 0.78 | — | — | |
| SCHEMBL3958831 | 0.76 | — | — | |
| SCHEMBL7963433 | 0.76 | — | — | |
| SCHEMBL23092019 | 0.76 | — | — | |
| SCHEMBL23883118 | 0.74 | — | — | |
| SCHEMBL23880595 | 0.74 | — | — | |
| SCHEMBL6049009 | 0.74 | CYP1A2 (0.33) | — | |
| SCHEMBL5670726 | 0.73 | CA1 (0.38) | — | |
| SCHEMBL5543062 | 0.71 | GABRP (0.45) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1610808-A2 | COVALENT ATTACHMENT OF LIGANDS TO NUCLEOPHILIC PROTEINS GUIDED BY NON-COVALENT BINDING | University of Texas Medical School (US) | 2006-01-04 | — | — | EP | claimed |
| WO-2004087059-A2 | COVALENT ATTACHMENT OF LIGANDS TO NUCLEOPHILIC PROTEINS GUIDED BY NON-COVALENT BINDING | THE UNIVERSITY OF TEXAS (US) | 2004-10-14 | — | — | WO | claimed |
| WO-2002062755-A2 | POLYAMIDE ANALOGS AS DNA MINOR GROOVE BINDERS | GENELABS TECHNOLOGIES, INC. (US) | 2002-08-15 | — | — | WO | disclosed |