⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10054538 | 0.80 | HSD17B10 (0.33) | — | |
| SCHEMBL14882384 | 0.78 | HSD17B10 (0.32) | — | |
| SCHEMBL14225400 | 0.69 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL22675159 | 0.67 | GPR35 (0.33) | — | |
| SCHEMBL19521963 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL22675088 | 0.64 | HSD17B10 (0.32) | — | |
| SCHEMBL16767803 | 0.64 | — | — | |
| SCHEMBL16767802 | 0.64 | RAPGEF4 (0.37) | — | |
| SCHEMBL14882574 | 0.62 | SKP2 (0.40) | — | |
| SCHEMBL15132575 | 0.62 | SMN1; SMN2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2588484-B1 | ORGANIC COMPOUND AND ELECTROCHROMIC DEVICE INCLUDING THE SAME | CANON KK (JP) | 2015-11-04 | — | — | EP | disclosed |