⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28604147 | 0.86 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL27755242 | 0.73 | FFAR3 (0.36) | — | |
| SCHEMBL28173052 | 0.72 | — | — | |
| SCHEMBL27755360 | 0.71 | DGAT1 (0.36) | — | |
| SCHEMBL15116383 | 0.62 | EPHX2 (0.32) | — | |
| SCHEMBL22472300 | 0.62 | — | — | |
| SCHEMBL13022683 | 0.62 | — | — | |
| SCHEMBL27815438 | 0.62 | — | — | |
| SCHEMBL11296124 | 0.62 | — | — | |
| SCHEMBL16058884 | 0.62 | SMN1; SMN2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107074859-B | Cyclohexylethyl substituted diaza-and triaza-tricyclics as indoleamine-2, 3-dioxygenase (IDO) antagonists for the treatment of cancer | 默克专利有限公司 | 2021-08-06 | — | — | CN | disclosed |