⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6657473 | 0.76 | CTSC (0.35) | — | |
| SCHEMBL6825871 | 0.70 | — | — | |
| SCHEMBL2141153 | 0.70 | TAAR1 (0.44) | — | |
| SCHEMBL18626727 | 0.68 | TAAR1 (0.46) | — | |
| SCHEMBL3593018 | 0.67 | HTT (0.47) | — | |
| SCHEMBL4028733 | 0.67 | CTSC (0.31) | — | |
| SCHEMBL13419918 | 0.66 | NPC1 (0.44) | — | |
| SCHEMBL21413116 | 0.66 | NPC1 (0.44) | — | |
| SCHEMBL7396970 | 0.65 | CYP1A2 (0.39) | — | |
| SCHEMBL4025513 | 0.63 | HSD11B1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1442033-A1 | OMEGA-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS | Allergan, Inc. (US) | 2004-08-04 | — | — | EP | disclosed |
| EP-1438104-A1 | CO-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS | Allergan, Inc. (US) | 2004-07-21 | — | — | EP | disclosed |
| WO-2003040126-A1 | φ-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS | ALLERGAN, INC. (US) | 2003-05-15 | — | — | WO | disclosed |
| WO-2003037433-A1 | CO-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS | ALLERGAN, INC. (US) | 2003-05-08 | — | — | WO | disclosed |