⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7028793 | 0.70 | — | — | |
| SCHEMBL16236961 | 0.70 | — | — | |
| SCHEMBL16236787 | 0.67 | — | — | |
| SCHEMBL9777841 | 0.67 | — | — | |
| SCHEMBL563765 | 0.67 | — | — | |
| SCHEMBL8574972 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL8568852 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL8568515 | 0.61 | ALDH1A1 (0.40) | — | |
| SCHEMBL21545414 | 0.59 | — | — | |
| Benzene SCHEMBL6920779 | 0.57 | ALDH1A1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7553841-B2 | Amino cyclobutylamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-06-30 | — | — | US | disclosed |
| EP-1617841-A4 | AMINO CYCLOBUTYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |
| US-20060211722-A1 | Amino cyclobutylamide modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2006-09-21 | — | — | US | disclosed |
| CN-1787818-A | Amino cyclobutylamide modulators of chemokine receptor activity | MERCK & CO INC (US) | 2006-06-14 | — | — | CN | disclosed |
| EP-1617841-A1 | AMINO CYCLOBUTYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co. Inc. (US) | 2006-01-25 | — | — | EP | disclosed |
| WO-2004082682-A1 | AMINO CYCLOBUTYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO. INC. (US) | 2004-09-30 | — | — | WO | disclosed |