⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28000254 | 0.75 | CLK1 (0.33) | — | |
| SCHEMBL27145426 | 0.71 | CYP11B1 (0.36) | — | |
| SCHEMBL16739845 | 0.71 | IDO1 (0.39) | — | |
| SCHEMBL27140429 | 0.71 | CYP19A1 (0.34) | — | |
| SCHEMBL19633832 | 0.71 | FABP4 (0.33) | — | |
| SCHEMBL27893222 | 0.69 | HCAR2 (0.40) | — | |
| SCHEMBL11323799 | 0.68 | SIRT3 (0.42) | — | |
| SCHEMBL28211612 | 0.67 | TBXAS1 (0.32) | — | |
| SCHEMBL18760629 | 0.67 | HTT (0.30) | — | |
| SCHEMBL18894701 | 0.65 | PRKCI (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108440571-A | Etp derivatives | 希望之城 | 2018-08-24 | — | — | CN | disclosed |
| CN-104870452-B | Etp derivatives | 希望之城 | 2018-04-13 | — | — | CN | disclosed |