⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL753503 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL19368316 | 0.71 | MAPT (0.34) | — | |
| SCHEMBL12841529 | 0.71 | KIF11 (0.35) | — | |
| SCHEMBL13674217 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL12873459 | 0.64 | ACHE (0.34) | — | |
| SCHEMBL19791143 | 0.64 | HPRT1 (0.44) | — | |
| SCHEMBL13502048 | 0.63 | ACHE (0.35) | — | |
| SCHEMBL13502049 | 0.63 | CD44 (0.33) | — | |
| SCHEMBL13502052 | 0.62 | KIF11 (0.38) | — | |
| SCHEMBL20709034 | 0.62 | GPR3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8263794-B2 | Process for the partial hydrogenation of fatty acid esters | COGNIS IP MANAGEMENT GMBH (DE) | 2012-09-11 | — | — | US | disclosed |
| US-20100022664-A1 | Process for the partial hydrogenation of fatty acid esters | COGNIS IP MANAGEMENT GMBH (DE) | 2010-01-28 | — | — | US | disclosed |