⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL230030 | 0.81 | — | — | |
| SCHEMBL11952979 | 0.74 | — | — | |
| SCHEMBL10507542 | 0.74 | — | — | |
| Cyclohexane SCHEMBL8748270 | 0.74 | — | — | |
| SCHEMBL9684576 | 0.74 | — | — | |
| SCHEMBL11071873 | 0.72 | CTSK (0.32) | — | |
| Vinyl Ether SCHEMBL15487742 | 0.72 | — | — | |
| SCHEMBL11097318 | 0.70 | ALDH1A1 (0.40) | — | |
| Terephthalic Acid SCHEMBL7861236 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL11069010 | 0.69 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080220381-A1 | Antireflection film composition and patterning process using the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2008-09-11 | — | — | US | disclosed |
| EP-0026369-B1 | CARBAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1984-08-08 | — | — | EP | disclosed |
| EP-0026369-A2 | Carbamates, their preparation and pharmaceutical compositions containing them | BASF Aktiengesellschaft (DE) | 1981-04-08 | — | — | EP | disclosed |