⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10043393 | 0.83 | — | — | |
| SCHEMBL16978585 | 0.81 | PRKDC (0.35) | — | |
| SCHEMBL16978607 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL1755160 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL31679 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL21282021 | 0.78 | GABRP (0.32) | — | |
| SCHEMBL15497619 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL19239349 | 0.77 | PRKDC (0.32) | — | |
| SCHEMBL22893886 | 0.76 | NPC1 (0.35) | — | |
| SCHEMBL15497609 | 0.76 | ALDH1A1 (0.38) | — |
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-2012050371-A1 | NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2012-04-19 | — | — | WO | disclosed |