⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27542973 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL27289115 | 0.83 | — | — | |
| SCHEMBL27516088 | 0.83 | — | — | |
| SCHEMBL27651639 | 0.82 | — | — | |
| SCHEMBL27298774 | 0.77 | — | — | |
| SCHEMBL5704781 | 0.76 | — | — | |
| SCHEMBL27905052 | 0.75 | — | — | |
| SCHEMBL10507737 | 0.72 | — | — | |
| SCHEMBL1162298 | 0.71 | — | — | |
| SCHEMBL29235123 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105924553-B | A kind of preparation method of the polycarboxylated styrene Type of Collective object of molecular weight narrow ditribution | 张智斌 | 2018-07-20 | — | — | CN | claimed |
| CN-105924553-B | A kind of preparation method of the polycarboxylated styrene Type of Collective object of molecular weight narrow ditribution | 张智斌 | 2018-07-20 | — | — | CN | disclosed |
| CN-103030538-A | Fragrances with note of lily of the valley | SYMRISE AG | 2013-04-10 | — | — | CN | disclosed |
| CN-101287536-A | Polyelectrolyte-coated ion-exchange particles | APPLERA CORP (US) | 2008-10-15 | — | — | CN | disclosed |
| EP-0898734-A1 | COMPOSITIONS AND PROCESSES FOR PHOTOGENERATION OF ACID | Imation Corp. (US) | 1999-03-03 | — | — | EP | disclosed |
| WO-1997043695-A1 | COMPOSITIONS AND PROCESSES FOR PHOTOGENERATION OF ACID | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-11-20 | — | — | WO | disclosed |
| US-4956123-A | REACTING A STYRENE TYPE COMPOUND WITH A DIHALOACYL PEROXIDE TO MAKE A FLUOROALKYLAROMATIC ESTER | NIPPON OILS & FATS COMPANY, LTD. (JP) | 1990-09-11 | — | — | US | disclosed |