⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6952028 | 0.76 | NR1H4 (0.33) | — | |
| SCHEMBL6941159 | 0.72 | PGK1 (0.40) | — | |
| SCHEMBL7621253 | 0.70 | — | — | |
| SCHEMBL2512485 | 0.68 | NR1H4 (0.35) | — | |
| SCHEMBL318542 | 0.67 | ALOX15 (0.42) | — | |
| SCHEMBL6850280 | 0.66 | — | — | |
| SCHEMBL7160014 | 0.66 | GGPS1 (0.31) | — | |
| SCHEMBL7168011 | 0.65 | — | — | |
| SCHEMBL8697120 | 0.65 | — | — | |
| SCHEMBL7077212 | 0.64 | ALDH1A1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1115729-B1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B | MERCK FROSST CANADA INC (CA) | 2003-02-19 | — | — | EP | disclosed |
| EP-1115729-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B | Merck Frosst Canada & Co. (CA) | 2001-07-18 | — | — | EP | disclosed |
| US-6174874-B1 | ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE | MERCK FROSST CANADA & CO. (CA) | 2001-01-16 | — | — | US | disclosed |
| WO-2000017211-A1 | PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B | MERCK FROSST CANADA & CO. (CA) | 2000-03-30 | — | — | WO | disclosed |