⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6270240 | 0.78 | — | — | |
| SCHEMBL6319816 | 0.74 | PDE5A (0.32) | — | |
| SCHEMBL6254476 | 0.70 | ALPL (0.40) | — | |
| SCHEMBL6267868 | 0.68 | ALPL (0.36) | — | |
| SCHEMBL6319649 | 0.68 | — | — | |
| SCHEMBL6272028 | 0.65 | ALPL (0.37) | — | |
| SCHEMBL6317795 | 0.63 | ALPL (0.38) | — | |
| SCHEMBL6326014 | 0.63 | — | — | |
| SCHEMBL31222316 | 0.60 | ESR1 (0.48) | — | |
| SCHEMBL1594960 | 0.60 | ESR1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005058330-A1 | PHOSPHORUS CONTAINING COMPOUNDS USEFUL FOR THE REGULATION OF LDL AND LP(A) LEVELS | QUATRX PHARMACEUTICALS CO. (US) | 2005-06-30 | — | — | WO | claimed |
| US-6939940-B2 | Liquid crystalline thermosets from ester, ester-imide, and ester-amide oligomers | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) | 2005-09-06 | — | — | US | disclosed |