⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2031587 | 0.94 | — | — | |
| SCHEMBL3580850 | 0.92 | — | — | |
| SCHEMBL6672705 | 0.88 | — | — | |
| SCHEMBL27933387 | 0.77 | — | — | |
| SCHEMBL28318446 | 0.72 | — | — | |
| SCHEMBL1183833 | 0.67 | — | — | |
| SCHEMBL6107066 | 0.67 | — | — | |
| SCHEMBL16593475 | 0.67 | — | — | |
| SCHEMBL27818204 | 0.67 | — | — | |
| SCHEMBL61735 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120189546-A1 | Radiolabelling Method Using Cycloalkyl Groups | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-07-26 | — | — | US | disclosed |
| EP-2454230-A1 | RADIOLABELLING METHOD USING CYCLOALKYL GROUPS | Bayer Pharma Aktiengesellschaft (DE) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011006621-A1 | RADIOLABELLING METHOD USING CYCLOALKYL GROUPS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-20 | — | — | WO | disclosed |
| CN-101384596-A | Heterocylic antiviral compounds | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | CN | disclosed |
| CN-100361965-C | Process for synthesizing O-(2-[18F]fluoroethyl)-L-tyrosine | SHANGHAI INST APPLIED PHYSICS (CN) | 2008-01-16 | — | — | CN | disclosed |
| CN-1844085-A | Process for synthesizing O-(2-[18F]fluoroethyl)-L-tyrosine | SHANGHAI INST APPLIED PHYSICS (CN) | 2006-10-11 | — | — | CN | disclosed |
| EP-0060445-A1 | Process for the resolution of racemates and lactone esters used in said process | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-09-22 | — | — | EP | disclosed |