⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20042226 | 0.69 | — | — | |
| SCHEMBL20042228 | 0.64 | — | — | |
| SCHEMBL20042227 | 0.62 | — | — | |
| SCHEMBL20042230 | 0.59 | — | — | |
| SCHEMBL17616410 | 0.56 | — | — | |
| SCHEMBL130746 | 0.54 | — | — | |
| SCHEMBL13805885 | 0.54 | — | — | |
| SCHEMBL20042223 | 0.54 | — | — | |
| SCHEMBL12194073 | 0.53 | — | — | |
| SCHEMBL20042225 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180099939-A1 | COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR | PLEXXIKON INC. | 2018-04-12 | — | — | US | disclosed |