⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL808481 | 0.81 | GRM6 (0.30) | — | |
| SCHEMBL11528752 | 0.78 | — | — | |
| SCHEMBL1194419 | 0.77 | — | — | |
| SCHEMBL5433597 | 0.76 | — | — | |
| SCHEMBL3165913 | 0.76 | — | — | |
| SCHEMBL31070849 | 0.75 | POLA1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL3416091 | 0.74 | — | — | |
| SCHEMBL1198132 | 0.74 | POLB (0.30) | — | |
| SCHEMBL1457083 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL5312428 | 0.72 | — | — |
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-0058924-A1 | Process for the preparation of alkylesters of aromatic aminocarboxylic acids | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-09-01 | — | — | EP | disclosed |