⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10287649 | 0.86 | — | — | |
| SCHEMBL12889712 | 0.79 | — | — | |
| SCHEMBL839881 | 0.76 | — | — | |
| SCHEMBL19214892 | 0.72 | — | — | |
| SCHEMBL839907 | 0.70 | — | — | |
| SCHEMBL7831654 | 0.69 | — | — | |
| SCHEMBL7837916 | 0.69 | INMT (0.33) | — | |
| SCHEMBL18130837 | 0.67 | — | — | |
| SCHEMBL18130846 | 0.67 | — | — | |
| SCHEMBL1116185 | 0.65 | PTPN1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120148534-A1 | METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-06-14 | — | — | US | disclosed |
| US-7956082-B2 | Indole derivative having PGD2 receptor antagonist activity | SHIONOGI & CO., LTD (JP) | 2011-06-07 | — | — | US | disclosed |
| US-20090030014-A1 | Indole Derivative Having Pgd2 Receptor Antagonist Activity | SHIONOGI & CO., LTD. (JP) | 2009-01-29 | — | — | US | disclosed |