⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23181404 | 0.73 | — | — | |
| SCHEMBL18906508 | 0.73 | — | — | |
| SCHEMBL14536112 | 0.71 | — | — | |
| SCHEMBL18528362 | 0.69 | — | — | |
| SCHEMBL17234255 | 0.69 | — | — | |
| SCHEMBL13888882 | 0.68 | — | — | |
| SCHEMBL27279142 | 0.67 | NOS1 (0.32) | — | |
| SCHEMBL288532 | 0.65 | — | — | |
| SCHEMBL20806094 | 0.65 | — | — | |
| SCHEMBL21028259 | 0.65 | — | — |
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-2016024233-A1 | INHIBITORS OF TRYPTOPHAN DIOXYGENASES (IDO1 AND TDO) AND THEIR USE IN THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2016-02-18 | — | — | WO | disclosed |