⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6825609 | 0.86 | MMP2 (0.31) | — | |
| SCHEMBL6822715 | 0.84 | USP2 (0.42) | — | |
| SCHEMBL6823231 | 0.76 | USP2 (0.41) | — | |
| SCHEMBL6823010 | 0.71 | USP2 (0.44) | — | |
| SCHEMBL3176627 | 0.68 | CYP4F2 (0.45) | — | |
| SCHEMBL6819442 | 0.67 | DDB1 (0.34) | — | |
| SCHEMBL6823567 | 0.67 | USP2 (0.43) | — | |
| SCHEMBL16835495 | 0.62 | KDM1A (0.38) | — | |
| SCHEMBL6823515 | 0.62 | USP2 (0.40) | — | |
| SCHEMBL1274933 | 0.61 | USP2 (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004058763-A1 | 4(SPIROPIPERIDINYL)METHYL SUBSTITUTED PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-07-15 | — | — | WO | disclosed |