⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50593 | 0.93 | — | — | |
| Dimethylformamide SCHEMBL3299693 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL8914121 | 0.78 | — | — | |
| Pyridine SCHEMBL3395217 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL338700 | 0.71 | — | — | |
| SCHEMBL22645718 | 0.68 | — | — | |
| SCHEMBL2851398 | 0.65 | CHRM2 (0.32) | — | |
| SCHEMBL4000795 | 0.64 | — | — | |
| SCHEMBL2804056 | 0.63 | — | — | |
| SCHEMBL10897429 | 0.62 | LMNA (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7786356-B2 | Method for the production of calendic acid, a fatty acid containing delta 8,10,12 conjugated double bonds and related fatty acids having a modification at the delta 9 position | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-08-31 | — | — | US | disclosed |
| EP-1208203-B1 | METHOD FOR THE PRODUCTION OF CALENDIC ACID, A FATTY ACID CONTAINING DELTA-8,10,12 CONJUGATED DOUBLE BONDS AND DIMORPHECOLIC ACID, A FATTY ACID CONTAINING A 9-HYDROXY GROUP AND DELTA-10,12 CONJUGATED DOUBLE BONDS | DU PONT (US) | 2010-01-13 | — | — | EP | disclosed |
| US-20090293149-A1 | METHOD FOR THE PRODUCTION OF CALENDIC ACID, A FATTY ACID CONTAINING DELTA 8,10,12 CONJUGATED DOUBLE BONDS AND RELATED FATTY ACIDS HAVING A MODIFICATION AT THE DELTA 9 POSITION | CAHOON EDGAR BENJAMIN | 2009-11-26 | — | — | US | disclosed |
| US-7230090-B2 | Method for the production of calendic acid, a fatty acid containing delta-8,10,12 conjugated double bonds and related fatty acids having a modification at the delta-9 position | E. I. DE PONT DE NEMOURS AND COMPANY (US) | 2007-06-12 | — | — | US | disclosed |
| EP-1309698-B1 | A CYTOCHROME P450 ENZYME ASSOCIATED WITH THE SYNTHESIS OF DELTA-12 -EPOXY GROUPS IN FATTY ACIDS OF PLANTS | DU PONT (US) | 2007-04-18 | — | — | EP | disclosed |
| US-6974893-B2 | Nucleotide sequences coding polypeptide for use in altering the composition of plant oils, waxes and hydroxylated fatty acids in plants | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2005-12-13 | — | — | US | disclosed |
| US-20040139499-A1 | Cytochrome P450 dependent enzyme associated with the synthesis of the epoxy group of vernolic acid | CAHOON EDGAR B (US) | 2004-07-15 | — | — | US | disclosed |
| US-20030204871-A1 | Method for the production of calendic acid, a fatty acid containing delta-8,10,12 conjugated double bonds and related fatty acids having a modification at the delta-9 position | CAHOON EDGAR BENJAMIN (US) | 2003-10-30 | — | — | US | disclosed |
| WO-2003060092-A2 | MODIFIED FATTY ACID HYDROXYLASE PROTEIN AND GENES | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2003-07-24 | — | — | WO | disclosed |
| US-6593514-B1 | Chimeric gene comprising an isolated nucleic acid fragment encoding a plant fatty acid modifying enzyme; can be used to create transgenic plants having altered lipid profiles; use in drying oils, lubricants, detergents, animal feed additives | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-07-15 | — | — | US | disclosed |
| US-20030079249-A1 | Isoform of castor oleate hydroxylase | ENERGY, UNITED STATES DEPARTMENT | 2003-04-24 | — | — | US | disclosed |
| US-20030066103-A1 | Cytochrome P450 enzyme associated with the synthesis of delta12-epoxy groups in fatty acids of plants | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-04-03 | — | — | US | disclosed |