⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17694347 | 0.82 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL16265269 | 0.71 | ESR1 (0.32) | — | |
| SCHEMBL16265195 | 0.71 | ESR1 (0.40) | — | |
| SCHEMBL18418561 | 0.71 | RARB (0.39) | — | |
| SCHEMBL21608685 | 0.70 | ESR1 (0.31) | — | |
| SCHEMBL19636878 | 0.69 | ESR1 (0.36) | — | |
| SCHEMBL29332167 | 0.69 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL29331973 | 0.69 | RARB (0.34) | — | |
| SCHEMBL21596536 | 0.69 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL20806205 | 0.68 | ESR1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014187529-A1 | DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND | MERCK PATENT GMBH (DE) | 2014-11-27 | — | — | WO | disclosed |