⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL94076 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL4345947 | 0.92 | — | — | |
| Methane SCHEMBL28116830 | 0.92 | — | — | |
| Water SCHEMBL16585832 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1128238 | 0.92 | — | — | |
| Bromide SCHEMBL28076047 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4345950 | 0.92 | ADH1B (0.33) | — | |
| Hydrochloric Acid SCHEMBL8445647 | 0.89 | ADH1B (0.32) | — | |
| Cyclohexane SCHEMBL27230878 | 0.86 | KDM4E (0.37) | — | |
| SCHEMBL4941414 | 0.83 | TSHR (0.43) | — |
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-107641115-A | The preparation method of Barasertib | 胡张艳 | 2018-01-30 | — | — | CN | claimed |
| US-10717038-B2 | Absorbing solution for separating and capturing carbon dioxide, and method for separating and capturing carbon dioxide in which same is used | RESEARCH INSTITUTE OF INNOVATIVE TECHNOLOGY FOR THE EARTH (JP) | 2020-07-21 | — | — | US | disclosed |
| US-20180078893-A1 | ABSORBING SOLUTION FOR SEPARATING AND CAPTURING CARBON DIOXIDE, AND METHOD FOR SEPARATING AND CAPTURING CARBON DIOXIDE IN WHICH SAME IS USED | NIPPON STEEL CORPORATION (JP) | 2018-03-22 | — | — | US | disclosed |
| EP-3275526-A1 | ABSORBING SOLUTION FOR SEPARATING AND RECOVERING CARBON DIOXIDE, AND METHOD FOR SEPARATING AND RECOVERING CARBON DIOXIDE IN WHICH SAME IS USED | NIPPON STEEL & SUMITOMO METAL CORPORATION (JP) | 2018-01-31 | — | — | EP | disclosed |
| CN-107641115-A | The preparation method of Barasertib | 胡张艳 | 2018-01-30 | — | — | CN | disclosed |
| US-20090030099-A1 | FOAM COMPOSITION AND FOAM | THE YOKOHAMA RUBBER CO., LTD. (JP) | 2009-01-29 | — | — | US | disclosed |
| US-20060199917-A1 | thermoplastic elastomer exhibiting high recyclability and oil resistance as well as excellent mechanical strength, and in particular, excellent resistance to compression set is provided. The thermoplastic resin with epoxy, hydroxy or nitrogen groups in backbone | YOKOHAMA RUBBER CO., LTD., THE (JP) | 2006-09-07 | — | — | US | disclosed |
| EP-1695987-A1 | Thermoplastic elastomer composition | THE YOKOHAMA RUBBER CO., LTD. (JP) | 2006-08-30 | — | — | EP | disclosed |
| US-20060189755-A1 | Thermoplastic elastomer composition | THE YOKOHAMA RUBBER CO., LTD. | 2006-08-24 | — | — | US | disclosed |