⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL471457 | 0.74 | — | — | |
| SCHEMBL11320623 | 0.72 | — | — | |
| SCHEMBL14403784 | 0.72 | — | — | |
| Catechol SCHEMBL8648704 | 0.69 | ALDH1A1 (0.71) | — | |
| SCHEMBL15710069 | 0.69 | — | — | |
| SCHEMBL24553843 | 0.69 | CA2 (0.43) | — | |
| Catechol SCHEMBL30944695 | 0.67 | ALDH1A1 (1.00) | — | |
| Catechol SCHEMBL29352716 | 0.67 | — | — | |
| Catechol SCHEMBL30088487 | 0.67 | — | — | |
| Catechol SCHEMBL367675 | 0.67 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3419960-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-07-01 | — | — | EP | disclosed |