⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL730605 | 1.00 | — | — | |
| SCHEMBL730606 | 1.00 | — | — | |
| SCHEMBL6474983 | 1.00 | — | — | |
| SCHEMBL6480405 | 1.00 | — | — | |
| SCHEMBL29291616 | 1.00 | — | — | |
| SCHEMBL732601 | 0.97 | ALDH1A1 (0.41) | — | |
| SCHEMBL732602 | 0.97 | ALDH1A1 (0.41) | — | |
| SCHEMBL10282163 | 0.97 | ALDH1A1 (0.41) | — | |
| SCHEMBL20372249 | 0.97 | ALDH1A1 (0.41) | — | |
| SCHEMBL9492047 | 0.89 | ALDH1A1 (0.41) | — |
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-103965003-A | Production method of butadiene | CHINA PETROLEUM & CHEMICAL | 2014-08-06 | — | — | CN | claimed |
| EP-3317325-B1 | THERMOPLASTIC COMPOSITION WITH BALANCED CHEMICAL RESISTANCE AND IMPACT PROPERTIES | SHPP GLOBAL TECH BV (NL) | 2021-06-02 | — | — | EP | disclosed |
| EP-3202759-A1 | ALPHA-AMINOAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | Korea Institute of Science and Technology (KR) | 2017-08-09 | — | — | EP | disclosed |
| CN-103965003-A | Production method of butadiene | CHINA PETROLEUM & CHEMICAL | 2014-08-06 | — | — | CN | disclosed |
| EP-1826200-A2 | Oxime derivative, photopolymerisable composition, colour filter and process for producing the same | FUJIFILM Corporation (JP) | 2007-08-29 | — | — | EP | disclosed |
| US-6861260-B2 | Lipid membrane, method for measuring membrane permeability, and method for screening | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-03-01 | — | — | US | disclosed |
| EP-1266684-B1 | LIPID MEMBRANE, METHOD FOR MEASURING MEMBRANE PERMEABILITY, AND METHOD FOR SCREENING | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2004-07-07 | — | — | EP | disclosed |
| US-20030111406-A1 | A membrane containing an unsaturated C7-C9 hydrocarbon and a lipid; suitable for rapid measurement | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-06-19 | — | — | US | disclosed |
| EP-1266684-A1 | LIPID MEMBRANE, METHOD FOR MEASURING MEMBRANE PERMEABILITY, AND METHOD FOR SCREENING | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-12-18 | — | — | EP | disclosed |