⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18470418 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL13829112 | 0.74 | GAA (0.33) | — | |
| SCHEMBL22861883 | 0.74 | — | — | |
| SCHEMBL18470622 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL13240568 | 0.73 | — | — | |
| SCHEMBL18470374 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL13829081 | 0.71 | — | — | |
| SCHEMBL13829024 | 0.71 | — | — | |
| SCHEMBL11991286 | 0.71 | — | — | |
| SCHEMBL18470370 | 0.70 | THRB (0.36) | — |
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-9897916-B2 | Compound, polymer compound, resist composition, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-02-20 | — | — | US | disclosed |
| US-20170038683-A1 | COMPOUND, POLYMER COMPOUND, RESIST COMPOSITION, AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-02-09 | — | — | US | disclosed |