⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14160885 | 0.85 | — | — | |
| SCHEMBL2006165 | 0.77 | — | — | |
| SCHEMBL4021917 | 0.77 | CTSC (0.37) | — | |
| SCHEMBL6553918 | 0.63 | PTGIR (0.31) | — | |
| SCHEMBL1630913 | 0.63 | PTGIR (0.31) | — | |
| SCHEMBL7248798 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL7240654 | 0.59 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL6781555 | 0.58 | HSD11B1 (0.33) | — | |
| SCHEMBL25362839 | 0.57 | KMT2A (0.42) | — | |
| SCHEMBL9071088 | 0.57 | KMT2A (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6586462-B2 | ω-Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists | ALLERGAN, INC. | 2003-07-01 | — | — | US | disclosed |
| US-20020187961-A1 | Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists | ALLERGAN, INC. | 2002-12-12 | — | — | US | disclosed |