⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8832995 | 0.86 | MAPK1 (0.32) | — | |
| SCHEMBL14231551 | 0.83 | — | — | |
| SCHEMBL17635505 | 0.75 | MAPK1 (0.31) | — | |
| SCHEMBL20483122 | 0.72 | — | — | |
| SCHEMBL2226034 | 0.72 | — | — | |
| SCHEMBL2226028 | 0.72 | — | — | |
| SCHEMBL10625732 | 0.71 | MAPK1 (0.40) | — | |
| SCHEMBL7432325 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL2055314 | 0.69 | — | — | |
| SCHEMBL23549400 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2526099-B1 | IMPROVED PROCESS FOR THE PREPARATION OF AMIDE INTERMEDIATES AND THEIR USE THEREOF | MSN LAB LTD (IN) | 2016-03-30 | — | — | EP | disclosed |