⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL672486 | 1.00 | — | — | |
| SCHEMBL26539 | 1.00 | — | — | |
| SCHEMBL352447 | 0.97 | LMNA (0.46) | — | |
| Ethylene Glycol SCHEMBL6241550 | 0.97 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL345863 | 0.97 | LMNA (0.46) | — | |
| SCHEMBL351960 | 0.97 | LMNA (0.46) | — | |
| SCHEMBL3772105 | 0.97 | LMNA (0.46) | — | |
| SCHEMBL9488487 | 0.97 | LMNA (0.46) | — | |
| SCHEMBL4779607 | 0.97 | LMNA (0.46) | — | |
| SCHEMBL1658809 | 0.97 | LMNA (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6002037-A | INTERMEDIATES OF CHIRAL ORGANIC COMPOUNDS, E.G., ISOALKYL ALCOHOLS, IN HIGHLY ENANTIOMERIC EXCESS FOR PREPARING VITAMINS, DRUGS AND BIOMOLECULES; METALLOCENE CATALYSTS | PURDUE RESEARCH FOUNDATION (US) | 1999-12-14 | — | — | US | disclosed |