⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5950718 | 0.69 | — | — | |
| SCHEMBL5950720 | 0.69 | — | — | |
| SCHEMBL415751 | 0.69 | — | — | |
| SCHEMBL13772114 | 0.67 | — | — | |
| SCHEMBL18025570 | 0.67 | — | — | |
| SCHEMBL483026 | 0.67 | CYP2D6 (0.56) | — | |
| SCHEMBL28147584 | 0.67 | — | — | |
| SCHEMBL3328759 | 0.67 | — | — | |
| SCHEMBL7610368 | 0.67 | — | — | |
| SCHEMBL60043 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170096689-A1 | SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID | GENOMATICA, INC. | 2017-04-06 | — | — | US | disclosed |
| WO-2007038669-A9 | DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS | IRM LLC | 2008-05-29 | — | — | WO | disclosed |
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |
| US-20040214856-A1 | Cannabinoid receptor ligands and uses thereof | PFIZER INC | 2004-10-28 | — | — | US | disclosed |
| EP-0265126-A2 | Process for the preparation of fused pyridine compounds | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1988-04-27 | — | — | EP | disclosed |