⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21402058 | 0.68 | — | — | |
| SCHEMBL19995846 | 0.63 | TDO2 (0.39) | — | |
| SCHEMBL20042288 | 0.63 | METAP2 (0.40) | — | |
| SCHEMBL20002073 | 0.60 | TDO2 (0.39) | — | |
| SCHEMBL20002533 | 0.59 | METAP2 (0.39) | — | |
| SCHEMBL20002074 | 0.59 | TDO2 (0.38) | — | |
| SCHEMBL22081819 | 0.59 | TP53 (0.44) | — | |
| SCHEMBL24394130 | 0.58 | DRD2 (0.41) | — | |
| SCHEMBL24131457 | 0.58 | TSHR (0.43) | — | |
| SCHEMBL23392271 | 0.57 | ERN1 (0.58) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019183145-A1 | COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2019-09-26 | — | — | WO | disclosed |
| WO-2018057973-A1 | COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2018-03-29 | — | — | WO | disclosed |