⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12549886 | 0.81 | CYP2A6 (0.32) | — | |
| SCHEMBL16860626 | 0.66 | — | — | |
| SCHEMBL6030394 | 0.65 | CYP19A1 (0.45) | — | |
| SCHEMBL14985269 | 0.64 | KDM1A (0.34) | — | |
| SCHEMBL24016979 | 0.63 | — | — | |
| SCHEMBL16475178 | 0.62 | F2RL1 (0.33) | — | |
| SCHEMBL20101431 | 0.61 | HTR2A (0.43) | — | |
| SCHEMBL27267915 | 0.61 | DDR1 (0.31) | — | |
| SCHEMBL25282200 | 0.61 | TUBB4A (0.40) | — | |
| SCHEMBL17963571 | 0.60 | CCNT1 (0.33) | — |
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-8404736-B2 | Heterocyclic amide derivatives as EP4 receptor antagonists | BETA PHARMA CANADA INC. (CA) | 2013-03-26 | — | — | US | disclosed |
| US-20110136887-A1 | Heterocyclic Amide Derivatives as EP4 Receptor Antagonists | BETA PHARMA CANADA INC. (CA) | 2011-06-09 | — | — | US | disclosed |