⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL292852 | 0.74 | — | — | |
| SCHEMBL1107 | 0.72 | — | — | |
| SCHEMBL12971068 | 0.72 | — | — | |
| SCHEMBL7784075 | 0.70 | — | — | |
| SCHEMBL22714131 | 0.70 | — | — | |
| SCHEMBL430949 | 0.65 | — | — | |
| SCHEMBL7081970 | 0.65 | — | — | |
| SCHEMBL1289421 | 0.63 | MEN1 (0.32) | — | |
| SCHEMBL8009 | 0.63 | — | — | |
| SCHEMBL419805 | 0.63 | MEN1 (0.32) | — |
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-6384230-B1 | 2,6-DIMETHYL-5-((4-ETHOXYPHENYL)-METHOXY)-7-(2-METHYLTHIAZOL-4-YL)HEPTA -2,6-DIENOIC ACID ETHYL ESTER FROM MALIC ACID, WITTIG REACTION WITH 2-METHYL-4-THIAZOLYLMETHYL TRIPHENYL PHOSPHONIUM BROMIDE; INTERMEDIATES FOR EPOTHILONE A OR B | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-05-07 | — | — | US | claimed |