⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18872910 | 0.81 | — | — | |
| SCHEMBL29320894 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL21698332 | 0.75 | MAPT (0.35) | — | |
| SCHEMBL20436369 | 0.75 | TRPM8 (0.32) | — | |
| SCHEMBL20019111 | 0.74 | NPSR1 (0.31) | — | |
| SCHEMBL20999115 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL22789489 | 0.74 | NPSR1 (0.36) | — | |
| SCHEMBL10071338 | 0.74 | — | — | |
| SCHEMBL18722851 | 0.72 | SLC16A3 (0.33) | — | |
| SCHEMBL14414057 | 0.72 | TERT (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 |
|---|---|---|---|---|---|---|---|
| EP-1603990-B1 | ORGANIC ELECTROLUMINESCENT DEVICE | LG DISPLAY CO LTD (KR) | 2018-07-25 | — | — | EP | disclosed |