⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL896787 | 0.84 | CES2 (0.62) | — | |
| SCHEMBL2201261 | 0.84 | CES2 (0.62) | — | |
| SCHEMBL6690863 | 0.82 | — | — | |
| SCHEMBL9047691 | 0.81 | KMT2A (0.64) | — | |
| SCHEMBL17922016 | 0.80 | — | — | |
| SCHEMBL30698159 | 0.80 | KMT2A (0.69) | — | |
| SCHEMBL13381577 | 0.80 | KMT2A (0.75) | — | |
| SCHEMBL363937 | 0.80 | — | — | |
| SCHEMBL8931340 | 0.80 | — | — | |
| SCHEMBL18639288 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6177560-B1 | DIRECT ESTERIFICATION OF THE 17 HYDROXYL GROUP WITHOUT PRIOR PROTECTION OF THE FREE 11 HYDROXY FUNCTION. | HOVIONE INTER LTD. (CH) | 2001-01-23 | — | — | US | claimed |
| US-4917815-A | STABILIZED WITH THE CORRESPONDING CARBOXYLIC ACID, PERGLUTARIC ACID AND HYDROGEN PEROXIDE | STERLING DRUG INC. (US) | 1990-04-17 | — | — | US | claimed |
| EP-0057401-B1 | AROMATIC HETEROCYCLIC ESTERS OF STEROIDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SCHERING CORPORATION (US) | 1984-08-01 | — | — | EP | claimed |
| CN-109714967-B | Method and kit for determining peracetic acid concentration in disinfectant solutions | 阿萨达有限责任公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-109714967-A | For measuring the method and kit of peracetic acid concentration in disinfectant solution | 伦萨公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-102958947-B | Polymerization process with in-situ initiator formation | AKZO NOBEL CHEMICALS INT BV | 2014-11-26 | — | — | CN | disclosed |
| EP-2688554-A2 | OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES | Cevc, Gregor (DE) | 2014-01-29 | — | — | EP | disclosed |
| US-20140017302-A1 | OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES | CEVC GREGOR (DE) | 2014-01-16 | — | — | US | disclosed |
| CN-102958947-A | Polymerization process with in-situ initiator formation | AKZO NOBEL CHEMICALS INT BV | 2013-03-06 | — | — | CN | disclosed |
| WO-2012126966-A2 | OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES | CEVC GREGOR (DE) | 2012-09-27 | — | — | WO | disclosed |
| US-4917815-A | STABILIZED WITH THE CORRESPONDING CARBOXYLIC ACID, PERGLUTARIC ACID AND HYDROGEN PEROXIDE | STERLING DRUG INC. (US) | 1990-04-17 | — | — | US | disclosed |