⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7192015 | 0.84 | TP53 (0.31) | — | |
| SCHEMBL7186657 | 0.80 | MEN1 (0.38) | — | |
| SCHEMBL7593604 | 0.69 | — | — | |
| SCHEMBL12002628 | 0.68 | IDO1 (0.46) | — | |
| SCHEMBL12002543 | 0.65 | CYP17A1 (0.35) | — | |
| SCHEMBL9293349 | 0.65 | PGR (0.36) | — | |
| SCHEMBL9849151 | 0.64 | GABRG2 (0.41) | — | |
| SCHEMBL481257 | 0.63 | IDO1 (0.50) | — | |
| SCHEMBL3825220 | 0.63 | CYP2A6 (0.37) | — | |
| SCHEMBL12002629 | 0.62 | IDO1 (0.40) | — |
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-6498151-B2 | PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS | MERCK FROSST CANADA & CO. (CA) | 2002-12-24 | — | — | US | disclosed |
| US-20020091104-A1 | Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors | MERCK FROSST CANADA LTD. (CA) | 2002-07-11 | — | — | US | disclosed |