⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20043562 | 0.82 | — | — | |
| SCHEMBL20043462 | 0.74 | — | — | |
| SCHEMBL23085006 | 0.70 | ESR2 (0.32) | — | |
| SCHEMBL10768620 | 0.70 | ESR2 (0.32) | — | |
| SCHEMBL20043613 | 0.68 | — | — | |
| SCHEMBL15728043 | 0.66 | — | — | |
| SCHEMBL17322960 | 0.65 | CYP2C19 (0.37) | — | |
| SCHEMBL17322957 | 0.65 | ATP1A1 (0.32) | — | |
| SCHEMBL20001780 | 0.65 | OPRM1 (0.31) | — | |
| SCHEMBL12194187 | 0.65 | OPRM1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11149011-B2 | Compounds and methods for IDO and TDO modulation, and indications therefor | PLEXXIKON INC. (US) | 2021-10-19 | — | — | US | disclosed |
| US-20190300487-A1 | COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. | 2019-10-03 | — | — | US | disclosed |
| US-20180099939-A1 | COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR | PLEXXIKON INC. | 2018-04-12 | — | — | US | disclosed |