⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5569443 | 0.83 | FAAH (0.34) | — | |
| SCHEMBL1788899 | 0.83 | LMNA (0.35) | — | |
| SCHEMBL1100608 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL1100758 | 0.75 | CA1 (0.41) | — | |
| SCHEMBL18856283 | 0.75 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL6155074 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL1070843 | 0.74 | HDAC1 (0.34) | — | |
| SCHEMBL5872657 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL7755301 | 0.72 | DGKA (0.33) | — | |
| SCHEMBL9054275 | 0.71 | ALDH1A1 (0.44) | — |
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-1311469-A1 | METHOD FOR PRODUCING BETA- KETOENOL ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002016305-A1 | METHOD FOR PRODUCING β KETOENOL ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-28 | — | — | WO | disclosed |