⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13156377 | 0.84 | — | — | |
| SCHEMBL18133778 | 0.79 | — | — | |
| SCHEMBL7762228 | 0.79 | ADRA1D (0.32) | — | |
| SCHEMBL13156396 | 0.77 | — | — | |
| SCHEMBL13502101 | 0.69 | — | — | |
| SCHEMBL3559932 | 0.69 | — | — | |
| SCHEMBL13799002 | 0.66 | NPC1 (0.37) | — | |
| SCHEMBL18876194 | 0.65 | GPR35 (0.41) | — | |
| SCHEMBL3552974 | 0.65 | — | — | |
| SCHEMBL10086063 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9804470-B2 | Organic compound and electrochromic element containing the same | CANON KABUSHIKI KAISHA (JP) | 2017-10-31 | — | — | US | disclosed |
| US-9804470-B2 | Organic compound and electrochromic element containing the same | CANON KABUSHIKI KAISHA (JP) | 2017-10-31 | — | — | US | disclosed |