⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31623107 | 0.81 | — | — | |
| SCHEMBL29757509 | 0.77 | — | — | |
| SCHEMBL472886 | 0.77 | — | — | |
| SCHEMBL14553391 | 0.77 | MIF (0.41) | — | |
| SCHEMBL22566360 | 0.72 | — | — | |
| SCHEMBL10423603 | 0.71 | — | — | |
| SCHEMBL3197365 | 0.69 | — | — | |
| SCHEMBL11240362 | 0.67 | — | — | |
| SCHEMBL16328593 | 0.67 | — | — | |
| SCHEMBL17623687 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230357533-A1 | METHOD FOR CHEMICAL UPCYCLING OF RESINS CONTAINING ESTER BONDS | ZHEJIANG UNIVERSITY (CN) | 2023-11-09 | — | — | US | disclosed |
| US-20200048404-A1 | PHOTO-CURABLE COMPOSITION, RESIN, BLOCKED ISOCYANATE, AND METHOD FOR MANUFACTURING THREE-DIMENSIONAL OBJECT | CANON KABUSHIKI KAISHA (JP) | 2020-02-13 | — | — | US | disclosed |
| CN-109503648-A | Prepare the device of 3- isocyanate group propyl trimethoxy silicane | 张家港市国泰华荣化工新材料有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-109503647-A | The preparation method of 3- isocyanate group propyl trimethoxy silicane | 张家港市国泰华荣化工新材料有限公司 | 2019-03-22 | — | — | CN | disclosed |
| US-20130012706-A1 | Methods and Intermediates for the Synthesis of 4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazines | PHARMINOX LIMITED (GB) | 2013-01-10 | — | — | US | disclosed |