⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12203101 | 0.84 | ALDH1A1 (0.44) | — | |
| SCHEMBL12346764 | 0.79 | TTR (0.50) | — | |
| SCHEMBL8528851 | 0.75 | — | — | |
| SCHEMBL7479673 | 0.73 | — | — | |
| Tetrahydrofuran SCHEMBL130914 | 0.71 | — | — | |
| SCHEMBL9576477 | 0.71 | ALDH1A1 (1.00) | — | |
| SCHEMBL3455441 | 0.71 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL6298732 | 0.71 | — | — | |
| Tetrahydrofuran SCHEMBL1982618 | 0.71 | — | — | |
| SCHEMBL30466481 | 0.71 | ALDH1A1 (1.00) | — |
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-2015140110-A1 | ORGANIC OPTOELECTRONIC APPARATUS | OSRAM OLED GMBH (DE) | 2015-09-24 | — | — | WO | disclosed |