⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2993812 | 0.76 | CYP1A1 (0.31) | — | |
| SCHEMBL8728939 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL3888353 | 0.71 | — | — | |
| SCHEMBL232809 | 0.71 | — | — | |
| SCHEMBL193857 | 0.67 | — | — | |
| SCHEMBL2988463 | 0.67 | KIF11 (0.44) | — | |
| SCHEMBL194173 | 0.62 | — | — | |
| SCHEMBL27802193 | 0.62 | — | — | |
| SCHEMBL27802212 | 0.62 | — | — | |
| SCHEMBL2588034 | 0.62 | — | — |
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-7776884-B2 | Cyclic derivatives as modulators of chemokine receptors activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-08-17 | — | — | US | disclosed |
| US-7572813-B2 | Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-11 | — | — | US | disclosed |
| US-7087604-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-08-08 | — | — | US | disclosed |
| US-20060135503-A1 | Cyclic derivatives as modulators of chemokine receptors activity | CHERNEY ROBERT J | 2006-06-22 | — | — | US | disclosed |
| US-20060135502-A1 | Cyclic derivatives as modulators of chemokine receptor activity | CHERNEY ROBERT | 2006-06-22 | — | — | US | disclosed |
| US-7045521-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2006-05-16 | — | — | US | disclosed |
| US-6706712-B2 | RHEUMATIC DISEASES, MULTIPLE SCLEROSIS, ASTHMA, ANTICHOLESTEROL AGENTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-16 | — | — | US | disclosed |