⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14690800 | 0.82 | GPR35 (0.37) | — | |
| SCHEMBL25070650 | 0.82 | ESR1 (0.33) | — | |
| SCHEMBL14479819 | 0.76 | MEN1 (0.34) | — | |
| SCHEMBL20371157 | 0.70 | GPR35 (0.37) | — | |
| SCHEMBL147153 | 0.69 | — | — | |
| SCHEMBL23244622 | 0.67 | GPR35 (0.30) | — | |
| SCHEMBL15087976 | 0.66 | ESR1 (0.36) | — | |
| SCHEMBL20366428 | 0.66 | GPR35 (0.33) | — | |
| SCHEMBL15087969 | 0.66 | KDM4E (0.30) | — | |
| SCHEMBL20806070 | 0.65 | ESR1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11702597-B2 | Azo dye | MERCK PATENT GMBH (DE) | 2023-07-18 | — | — | US | disclosed |
| US-20230056437-A1 | AZO DYE | MERCK PATENT GMBH (DE) | 2023-02-23 | — | — | US | disclosed |