⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1836268 | 0.92 | ESR1 (0.32) | — | |
| SCHEMBL1840618 | 0.90 | ESR1 (0.30) | — | |
| SCHEMBL1835669 | 0.87 | ESR1 (0.34) | — | |
| SCHEMBL1838127 | 0.86 | ESR1 (0.33) | — | |
| SCHEMBL1836959 | 0.81 | ESR1 (0.30) | — | |
| SCHEMBL1834600 | 0.79 | TP53 (0.33) | — | |
| SCHEMBL1837986 | 0.78 | CNR2 (0.33) | — | |
| SCHEMBL1840157 | 0.77 | TP53 (0.34) | — | |
| SCHEMBL1838847 | 0.77 | CNR1 (0.37) | — | |
| SCHEMBL1839830 | 0.76 | CNR1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2322504-B9 | PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER | ASAHI CHEMICAL IND (JP) | 2017-09-06 | — | — | EP | disclosed |
| EP-2322504-B1 | PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER | ASAHI CHEMICAL IND (JP) | 2016-09-28 | — | — | EP | disclosed |