⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4235240 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4231449 | 0.84 | — | — | |
| SCHEMBL44361 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4231451 | 0.64 | AKR1C3 (0.35) | — | |
| SCHEMBL27633352 | 0.62 | — | — | |
| SCHEMBL4789993 | 0.59 | TSHR (0.34) | — | |
| Benzene SCHEMBL27788964 | 0.58 | NOTUM (0.38) | — | |
| SCHEMBL27877697 | 0.58 | — | — | |
| SCHEMBL21998625 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL27761142 | 0.57 | — | — |
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-1212299-A1 | SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | AstraZeneca UK Limited (GB) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001014333-A1 | SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA UK LIMITED (GB) | 2001-03-01 | — | — | WO | disclosed |