⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15337212 | 0.82 | — | — | |
| SCHEMBL10943620 | 0.82 | SIGMAR1 (0.32) | — | |
| SCHEMBL16120990 | 0.82 | — | — | |
| SCHEMBL10860013 | 0.82 | — | — | |
| SCHEMBL10858558 | 0.81 | SIGMAR1 (0.32) | — | |
| SCHEMBL19987632 | 0.79 | SIGMAR1 (0.34) | — | |
| SCHEMBL14527943 | 0.69 | — | — | |
| Perchlorate SCHEMBL7826491 | 0.68 | HTR6 (0.45) | — | |
| Perchlorate SCHEMBL10718692 | 0.66 | HTR6 (0.43) | — | |
| SCHEMBL14125680 | 0.66 | SIGMAR1 (0.32) | — |
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-1144415-A2 | FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS | WARNER-LAMBERT COMPANY (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000042045-A2 | FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS | WARNER-LAMBERT COMPANY (US) | 2000-07-20 | — | — | WO | disclosed |