⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16053913 | 0.91 | ALDH1A1 (0.35) | — | |
| SCHEMBL28144888 | 0.84 | — | — | |
| SCHEMBL18623587 | 0.84 | CA1 (0.30) | — | |
| SCHEMBL9891381 | 0.83 | PRKD3 (0.32) | — | |
| SCHEMBL22590736 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL10642096 | 0.79 | — | — | |
| SCHEMBL8189232 | 0.78 | — | — | |
| SCHEMBL22590734 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL727992 | 0.77 | OPRM1 (0.40) | — | |
| SCHEMBL352688 | 0.76 | — | — |
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-0410265-A1 | Cinnamic acid esters | BASF Aktiengesellschaft (DE) | 1991-01-30 | — | — | EP | disclosed |