⚠ 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 | |
|---|---|---|---|---|
| Methylphenylsulfide SCHEMBL27970000 | 1.00 | MAPT (0.53) | — | |
| Methylphenylsulfide SCHEMBL7584 | 1.00 | — | — | |
| Methylphenylsulfide SCHEMBL1332325 | 1.00 | — | — | |
| Methylphenylsulfide SCHEMBL27951695 | 1.00 | MAPT (0.53) | — | |
| Methylphenylsulfide SCHEMBL4456412 | 0.97 | MAPT (0.50) | — | |
| Methylphenylsulfide SCHEMBL11580919 | 0.97 | — | — | |
| Methylphenylsulfide SCHEMBL1335985 | 0.97 | MAPT (0.50) | — | |
| Methylphenylsulfide SCHEMBL4382713 | 0.97 | MAPT (0.50) | — | |
| Methylphenylsulfide SCHEMBL6233931 | 0.97 | — | — | |
| Methylphenylsulfide SCHEMBL6980826 | 0.97 | — | — |
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-20080138282-A1 | imaging agents for the cyclooxygenase (COX-2) enzyme using positronemission tomograpy (PET); C11 or F18 radioisotopes; inflammatory, cancer, diabetes, neurodegenerative diseases | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2008-06-12 | — | — | US | disclosed |
| WO-2005120584-A2 | RADIOLABELED ARYLSULFONYL COMPOUNDS AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2005-12-22 | — | — | WO | disclosed |