⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20441985 | 0.93 | PGR (0.33) | — | |
| SCHEMBL20441575 | 0.92 | PGR (0.32) | — | |
| SCHEMBL20441572 | 0.91 | PGR (0.33) | — | |
| SCHEMBL20441602 | 0.91 | PGR (0.33) | — | |
| SCHEMBL21084275 | 0.91 | — | — | |
| SCHEMBL21084761 | 0.90 | — | — | |
| SCHEMBL21084277 | 0.89 | PGR (0.31) | — | |
| SCHEMBL24748951 | 0.89 | HCRTR1 (0.33) | — | |
| SCHEMBL20441636 | 0.88 | PGR (0.34) | — | |
| SCHEMBL21084760 | 0.88 | — | — |
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-20190169176-A1 | NOVEL AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME | LG CHEM, LTD. (KR) | 2019-06-06 | — | — | US | disclosed |