⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18127487 | 0.89 | — | — | |
| SCHEMBL18127491 | 0.80 | — | — | |
| SCHEMBL17971632 | 0.65 | MAOA (0.41) | — | |
| SCHEMBL8224671 | 0.63 | OPRM1 (0.37) | — | |
| SCHEMBL18127463 | 0.63 | OPRM1 (0.37) | — | |
| SCHEMBL17971633 | 0.60 | NQO1 (0.42) | — | |
| SCHEMBL11133341 | 0.60 | TYR (0.41) | — | |
| SCHEMBL13435528 | 0.60 | CHKA (0.36) | — | |
| SCHEMBL699157 | 0.59 | HSD17B10 (0.39) | — | |
| SCHEMBL8761811 | 0.59 | CYP3A4 (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 |
|---|---|---|---|---|---|---|---|
| WO-2016154782-A1 | SQUARYLIUM COMPOUNDS USED FOR LCD COLOR FILTERS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2016-10-06 | — | — | WO | disclosed |