⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1840462 | 0.80 | SRD5A2 (0.41) | — | |
| SCHEMBL31093903 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL1835154 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL1836716 | 0.75 | SRD5A2 (0.41) | — | |
| SCHEMBL1837033 | 0.67 | ALDH1A1 (0.54) | — | |
| SCHEMBL30409226 | 0.67 | ALDH1A1 (0.54) | — | |
| SCHEMBL1841671 | 0.66 | SRD5A2 (0.45) | — | |
| SCHEMBL1955630 | 0.65 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL1953536 | 0.63 | HTT (0.37) | — | |
| SCHEMBL1835336 | 0.62 | TRPA1 (0.40) | — |
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 |