⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL75247 | 0.85 | THRB (0.47) | — | |
| SCHEMBL26114076 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL8201724 | 0.78 | THRB (0.43) | — | |
| SCHEMBL2979707 | 0.77 | — | — | |
| SCHEMBL11805529 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL5889533 | 0.76 | THRB (0.32) | — | |
| SCHEMBL4611994 | 0.76 | THRB (0.32) | — | |
| SCHEMBL5889485 | 0.76 | — | — | |
| SCHEMBL18944690 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL21123175 | 0.74 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220214619-A1 | PHOTORESIST TOPCOAT COMPOSITIONS AND PATTERN FORMATION METHODS | DUPONT ELECTRONIC MATERIALS INTERNATIONAL, LLC | 2022-07-07 | — | — | US | disclosed |