⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10513600 | 0.93 | — | — | |
| SCHEMBL7218538 | 0.87 | — | — | |
| SCHEMBL15766610 | 0.72 | — | — | |
| SCHEMBL10513990 | 0.65 | — | — | |
| SCHEMBL779076 | 0.62 | — | — | |
| SCHEMBL454454 | 0.60 | — | — | |
| SCHEMBL2906412 | 0.60 | — | — | |
| SCHEMBL497751 | 0.58 | — | — | |
| SCHEMBL3686517 | 0.58 | NQO1 (0.40) | — | |
| SCHEMBL566435 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |