⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11816963 | 0.81 | TDP1 (0.52) | — | |
| SCHEMBL3336019 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL4279785 | 0.77 | TDP1 (0.46) | — | |
| SCHEMBL2858728 | 0.77 | — | — | |
| SCHEMBL27715665 | 0.75 | TDP1 (0.45) | — | |
| SCHEMBL784658 | 0.75 | TDP1 (0.45) | — | |
| SCHEMBL25628009 | 0.75 | TDP1 (0.45) | — | |
| SCHEMBL203347 | 0.75 | — | — | |
| SCHEMBL3254735 | 0.73 | — | — | |
| SCHEMBL263908 | 0.73 | TDP1 (0.48) | — |
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-8314258-B2 | Method for producing acrylate derivative, acrylate derivative, and intermediate thereof | KURARAY CO., LTD. (JP) | 2012-11-20 | — | — | US | disclosed |
| US-20110009643-A1 | METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF | KURARAY CO., LTD. (JP) | 2011-01-13 | — | — | US | disclosed |
| US-5874577-A | Method for the preparing 9-12-(Diethoxyphosphonomethoxy)ethyl!adenine and analogues thereof | MEDICHEM RESEARCH, INC. (US) | 1999-02-23 | — | — | US | disclosed |