⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23774287 | 0.93 | ALDH1A1 (0.31) | — | |
| SCHEMBL23774070 | 0.87 | — | — | |
| SCHEMBL17349059 | 0.84 | GRM5 (0.34) | — | |
| SCHEMBL18958577 | 0.84 | GRM5 (0.34) | — | |
| SCHEMBL23774088 | 0.83 | GRM5 (0.31) | — | |
| SCHEMBL22101122 | 0.81 | NPY5R (0.31) | — | |
| SCHEMBL23083163 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL18958592 | 0.80 | GRM5 (0.33) | — | |
| SCHEMBL17348758 | 0.80 | GRM5 (0.33) | — | |
| SCHEMBL22066176 | 0.79 | METAP1 (0.32) | — |
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-20210257558-A1 | Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof | DUK SAN NEOLUX CO., LTD (KR) | 2021-08-19 | — | — | US | disclosed |