⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6984555 | 0.62 | — | — | |
| SCHEMBL123156 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL37682 | 0.54 | — | — | |
| SCHEMBL7519328 | 0.50 | TSHR (1.00) | — | |
| SCHEMBL19921920 | 0.50 | — | — | |
| SCHEMBL3107279 | 0.50 | — | — | |
| SCHEMBL7948270 | 0.50 | — | — | |
| SCHEMBL2311518 | 0.49 | TSHR (0.32) | — | |
| SCHEMBL5964898 | 0.47 | TSHR (0.43) | — | |
| SCHEMBL370061 | 0.47 | TSHR (0.58) | — |
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-3209746-B1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2019-05-08 | — | — | EP | disclosed |