⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20042207 | 1.00 | — | — | |
| SCHEMBL20042214 | 1.00 | — | — | |
| SCHEMBL20129588 | 0.85 | — | — | |
| SCHEMBL20042349 | 0.79 | — | — | |
| SCHEMBL20042199 | 0.72 | — | — | |
| SCHEMBL20042198 | 0.72 | — | — | |
| SCHEMBL20042201 | 0.72 | — | — | |
| SCHEMBL12593588 | 0.69 | — | — | |
| SCHEMBL17995178 | 0.69 | — | — | |
| SCHEMBL20042203 | 0.65 | SMN1; SMN2 (0.42) | — |
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 |