⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1822911 | 0.83 | POLB (0.34) | — | |
| SCHEMBL1866848 | 0.83 | POLB (0.34) | — | |
| SCHEMBL29520812 | 0.83 | CHRNB2 (0.36) | — | |
| SCHEMBL11978795 | 0.83 | POLB (0.34) | — | |
| SCHEMBL11978796 | 0.68 | ADRA2A (0.37) | — | |
| SCHEMBL19360099 | 0.68 | HSD17B2 (0.42) | — | |
| SCHEMBL1907055 | 0.68 | ADRA2A (0.37) | — | |
| SCHEMBL1872349 | 0.68 | ADRA2A (0.37) | — | |
| SCHEMBL11978826 | 0.66 | HSD17B2 (0.41) | — | |
| SCHEMBL11908226 | 0.66 | HSD17B2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013033269-A1 | BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS AND METHODS OF USING SAME | COFERON, INC. (US) | 2013-03-07 | — | — | WO | disclosed |
| WO-2013033270-A2 | BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME | COFERON, INC. (US) | 2013-03-07 | — | — | WO | disclosed |