⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6619926 | 0.98 | — | — | |
| SCHEMBL8501909 | 0.84 | FFAR1 (0.35) | — | |
| SCHEMBL8525559 | 0.81 | FFAR1 (0.33) | — | |
| SCHEMBL403350 | 0.77 | — | — | |
| SCHEMBL3583057 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL4371622 | 0.76 | RARA (0.33) | — | |
| SCHEMBL316146 | 0.76 | THRB (0.32) | — | |
| SCHEMBL2121108 | 0.74 | SRR (0.32) | — | |
| Hydrochloric Acid SCHEMBL2219432 | 0.74 | THRB (0.32) | — | |
| SCHEMBL21328421 | 0.74 | THRB (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090023741-A1 | ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR | BAYER SCHERING PHARMA AG (DE) | 2009-01-22 | — | — | US | disclosed |