⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15395855 | 1.00 | — | — | |
| SCHEMBL13316574 | 1.00 | — | — | |
| SCHEMBL15396102 | 0.95 | ALDH1A1 (0.30) | — | |
| SCHEMBL10069092 | 0.95 | ALDH1A1 (0.30) | — | |
| SCHEMBL15395856 | 0.95 | ALDH1A1 (0.30) | — | |
| SCHEMBL18325612 | 0.86 | ALDH1A1 (0.48) | — | |
| SCHEMBL8011804 | 0.80 | — | — | |
| SCHEMBL6689061 | 0.80 | — | — | |
| SCHEMBL12784591 | 0.80 | — | — | |
| SCHEMBL6689066 | 0.80 | — | — |
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-20140213538-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. | 2014-07-31 | — | — | US | disclosed |
| WO-2010090347-A1 | DIHYDROQUINOLINONE DERIVATIVES | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2010-08-12 | — | — | WO | disclosed |
| US-20070269537-A1 | Skin Condition Improvement Including Acne, Rosacea, and Topical Wounds by Artemisia Annua Extract via Iron Siderophore Trojan Horse Delivery System | BIODERM RESEARCH (US) | 2007-11-22 | — | — | US | disclosed |