⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21914656 | 1.00 | — | — | |
| SCHEMBL21914900 | 0.88 | — | — | |
| SCHEMBL21815419 | 0.88 | — | — | |
| SCHEMBL19119878 | 0.85 | RARA (0.36) | — | |
| SCHEMBL25070531 | 0.85 | NR1H4 (0.32) | — | |
| SCHEMBL16265269 | 0.84 | ESR1 (0.32) | — | |
| SCHEMBL21914655 | 0.84 | RARB (0.31) | — | |
| SCHEMBL21608685 | 0.83 | ESR1 (0.31) | — | |
| SCHEMBL21914798 | 0.83 | CYP3A4 (0.33) | — | |
| SCHEMBL21815412 | 0.82 | RARB (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3856869-A1 | AZO DYE | Merck Patent GmbH (DE) | 2021-08-04 | — | — | EP | disclosed |
| CN-113195684-A | Azo dyes | 默克专利股份有限公司 | 2021-07-30 | — | — | CN | disclosed |
| WO-2020064591-A1 | AZO DYE | MERCK PATENT GMBH (DE) | 2020-04-02 | — | — | WO | disclosed |