⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12205016 | 0.79 | POLB (0.31) | — | |
| SCHEMBL24423878 | 0.68 | — | — | |
| SCHEMBL20408206 | 0.66 | POLB (0.31) | — | |
| SCHEMBL23189803 | 0.66 | LMNA (0.33) | — | |
| SCHEMBL9898745 | 0.66 | KDM4E (0.30) | — | |
| SCHEMBL24837429 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL55895 | 0.63 | KMT2A (0.52) | — | |
| SCHEMBL613605 | 0.62 | GPR3 (0.33) | — | |
| SCHEMBL5126540 | 0.62 | KDM4E (0.43) | — | |
| SCHEMBL17592632 | 0.61 | SLC6A4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2419417-A1 | 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 | Janssen Pharmaceutica, N.V. (BE) | 2012-02-22 | — | — | EP | disclosed |
| EP-2419418-A1 | 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 | Janssen Pharmaceutica, N.V. (BE) | 2012-02-22 | — | — | EP | disclosed |
| EP-2419419-A1 | 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 | Janssen Pharmaceutica, N.V. (BE) | 2012-02-22 | — | — | EP | disclosed |