⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29332176 | 0.97 | — | — | |
| SCHEMBL18418564 | 0.96 | — | — | |
| SCHEMBL20975638 | 0.94 | PDK2 (0.31) | — | |
| SCHEMBL22299731 | 0.94 | RARB (0.32) | — | |
| SCHEMBL21608684 | 0.93 | — | — | |
| SCHEMBL20975640 | 0.91 | — | — | |
| SCHEMBL21608681 | 0.89 | RARB (0.30) | — | |
| SCHEMBL17176890 | 0.88 | — | — | |
| SCHEMBL29331969 | 0.87 | — | — | |
| SCHEMBL16265269 | 0.86 | ESR1 (0.32) | — |
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-10711138-B2 | Intermediates and procedures for the synthesis of functional materials | MERCK PATENT GMBH (DE) | 2020-07-14 | — | — | US | disclosed |
| US-20190127586-A1 | INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS | MERCK PATENT GMBH (DE) | 2019-05-02 | — | — | US | disclosed |