⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20042223 | 0.76 | — | — | |
| SCHEMBL8081901 | 0.68 | — | — | |
| SCHEMBL11771919 | 0.67 | ALOX5AP (0.30) | — | |
| SCHEMBL29642499 | 0.67 | — | — | |
| SCHEMBL23175346 | 0.65 | — | — | |
| SCHEMBL2277715 | 0.65 | — | — | |
| SCHEMBL1535854 | 0.65 | ALOX5AP (0.31) | — | |
| SCHEMBL17893249 | 0.65 | — | — | |
| SCHEMBL2012218 | 0.65 | ALOX5AP (0.31) | — | |
| SCHEMBL14507563 | 0.64 | HSD11B1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018057973-A1 | COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2018-03-29 | — | — | WO | disclosed |