⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3463060 | 0.97 | — | — | |
| Water SCHEMBL27320809 | 0.93 | — | — | |
| Water SCHEMBL28235930 | 0.93 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL11839574 | 0.93 | — | — | |
| Benzene SCHEMBL1568524 | 0.90 | HDAC3 (0.41) | — | |
| SCHEMBL28109951 | 0.88 | — | — | |
| SCHEMBL28056877 | 0.83 | PHGDH (0.37) | — | |
| Potassium Ion SCHEMBL27608196 | 0.83 | ALDH1A1 (0.31) | — | |
| Propionitrile SCHEMBL28275568 | 0.81 | ALDH1A1 (0.45) | — | |
| Methacrylic Acid SCHEMBL28296283 | 0.77 | ALDH1A1 (0.37) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106588708-A | Synthesis method of gemini surfactant | 塔里木大学 | 2017-04-26 | — | — | CN | claimed |
| CN-106588708-A | Synthesis method of gemini surfactant | 塔里木大学 | 2017-04-26 | — | — | CN | disclosed |
| EP-1951315-A2 | PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS | Ilypsa, Inc. (US) | 2008-08-06 | — | — | EP | disclosed |
| EP-1747003-A4 | PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN | ILYPSA INC (US) | 2008-01-09 | — | — | EP | disclosed |
| US-20070292385-A1 | Phospholipase Inhibitors Localized in the Gastrointestinal Lumen | ILYPSA, INC. | 2007-12-20 | — | — | US | disclosed |
| US-20070135383-A1 | Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors | ILYPSA, INC. | 2007-06-14 | — | — | US | disclosed |
| WO-2007056279-A2 | PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS | ILYPSA, INC. (US) | 2007-05-18 | — | — | WO | disclosed |
| EP-1747003-A1 | PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN | Ilypsa, Inc. (US) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005107766-A1 | PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN | ILYPSA, INC. (US) | 2005-11-17 | — | — | WO | disclosed |