⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4881973 | 0.70 | — | — | |
| SCHEMBL13746876 | 0.70 | — | — | |
| SCHEMBL19310592 | 0.70 | — | — | |
| SCHEMBL13900845 | 0.69 | — | — | |
| SCHEMBL29217259 | 0.69 | — | — | |
| Water SCHEMBL11300624 | 0.68 | — | — | |
| SCHEMBL20039487 | 0.66 | — | — | |
| SCHEMBL873125 | 0.66 | — | — | |
| SCHEMBL10597902 | 0.64 | SHBG (0.33) | — | |
| SCHEMBL8424627 | 0.64 | SHBG (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2582692-A1 | CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 | Janssen Pharmaceutica, N.V. (BE) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011159854-A1 | CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-22 | — | — | WO | disclosed |