⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22336404 | 0.85 | GAA (0.50) | — | |
| SCHEMBL2735586 | 0.83 | TDP1 (0.56) | — | |
| SCHEMBL20254833 | 0.82 | CTSD (0.42) | — | |
| SCHEMBL13050142 | 0.80 | — | — | |
| SCHEMBL13438529 | 0.78 | CYP2C19 (0.50) | — | |
| SCHEMBL12035873 | 0.78 | — | — | |
| SCHEMBL24127773 | 0.77 | PAOX (0.45) | — | |
| SCHEMBL10402833 | 0.76 | — | — | |
| SCHEMBL497749 | 0.76 | — | — | |
| SCHEMBL9557758 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170233726-A1 | Method for Making an Enriched Library | VIPERGEN APS (DK) | 2017-08-17 | — | — | US | disclosed |
| EP-2872591-B1 | A PROCESS FOR THE PREPARATION OF TUNABLE FLUORESCENT POLYMER COMPOSITION | COUNCIL SCIENT IND RES (IN) | 2016-06-29 | — | — | EP | disclosed |
| US-20130288929-A1 | Method for Making an Enriched Library | VIPERGEN (DK) | 2013-10-31 | — | — | US | disclosed |