⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17952617 | 0.87 | CYP1A2 (0.36) | — | |
| SCHEMBL17952475 | 0.85 | — | — | |
| SCHEMBL17952296 | 0.83 | HTR2A (0.30) | — | |
| SCHEMBL17952473 | 0.81 | NPSR1 (0.37) | — | |
| SCHEMBL17952151 | 0.81 | HSD17B10 (0.35) | — | |
| SCHEMBL17952470 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL17952471 | 0.78 | — | — | |
| SCHEMBL17952474 | 0.78 | — | — | |
| SCHEMBL17952153 | 0.76 | — | — | |
| SCHEMBL17952619 | 0.75 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160218303-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2016-07-28 | — | — | US | disclosed |