⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28406377 | 0.88 | ALDH1A1 (0.47) | — | |
| SCHEMBL2380330 | 0.80 | — | — | |
| SCHEMBL1269985 | 0.79 | ALDH1A1 (0.69) | — | |
| SCHEMBL2818804 | 0.79 | ALDH1A1 (0.69) | — | |
| SCHEMBL2945318 | 0.76 | ALDH1A1 (0.64) | — | |
| SCHEMBL3040312 | 0.76 | ALDH1A1 (0.64) | — | |
| SCHEMBL5915749 | 0.76 | ALDH1A1 (0.64) | — | |
| SCHEMBL2943010 | 0.76 | ALDH1A1 (0.64) | — | |
| SCHEMBL18676018 | 0.75 | — | — | |
| SCHEMBL452679 | 0.73 | — | — |
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-106661355-B | Ink composition, inkjet recording method, and colored body | 日本化药株式会社 | 2020-06-12 | — | — | CN | disclosed |
| US-10544320-B2 | Ink composition, inkjet recording method, and colored article | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2020-01-28 | — | — | US | disclosed |
| EP-3153555-B1 | INK COMPOSITION, INKJET RECORDING METHOD, AND COLORED ARTICLE | NIPPON KAYAKU KK (JP) | 2018-04-18 | — | — | EP | disclosed |
| US-20170137652-A1 | INK COMPOSITION, INKJET RECORDING METHOD, AND COLORED ARTICLE | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2017-05-18 | — | — | US | disclosed |
| EP-3153555-A1 | INK COMPOSITION, INKJET RECORDING METHOD, AND PRINT ARTICLE | Nippon Kayaku Kabushiki Kaisha (JP) | 2017-04-12 | — | — | EP | disclosed |
| US-9040516-B2 | Uracil derivative and use thereof for medical purposes | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2015-05-26 | — | — | US | disclosed |
| US-20140179670-A1 | URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2014-06-26 | — | — | US | disclosed |
| EP-2740728-A1 | URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2014-06-11 | — | — | EP | disclosed |
| WO-2006060885-A1 | 7-(2-CYCLOHEXYLIDENE-ETHYLIDENE)-SPIRO[5.5]UNDECANES USEFUL FOR MAKING PHARMACEUTICAL COMPOSITIONS | K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) | 2006-06-15 | — | — | WO | disclosed |