⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9506612 | 0.70 | NR1H2 (0.31) | — | |
| SCHEMBL295866 | 0.67 | — | — | |
| SCHEMBL7615407 | 0.67 | — | — | |
| SCHEMBL10938428 | 0.67 | — | — | |
| SCHEMBL30678929 | 0.67 | — | — | |
| SCHEMBL16477654 | 0.67 | — | — | |
| SCHEMBL19281743 | 0.65 | — | — | |
| SCHEMBL2153145 | 0.65 | — | — | |
| SCHEMBL296630 | 0.65 | — | — | |
| SCHEMBL3360248 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003024975-A1 | LAULIMALIDE-DERIVATIVES, THEIR USE AND PROCESS FOR THE PRODUCTION OF LAULIMALIDE AND LAULIMALIDE-DERIVATIVES | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-03-27 | — | — | WO | disclosed |
| EP-1295886-A1 | Laulimalide-derivates, their use and process for the production of laulimalide and laulimalide-derivates | Schering Aktiengesellschaft (DE) | 2003-03-26 | — | — | EP | disclosed |