⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18185630 | 0.90 | CYP1A2 (0.30) | — | |
| SCHEMBL18185592 | 0.90 | — | — | |
| SCHEMBL301349 | 0.89 | — | — | |
| SCHEMBL17585038 | 0.89 | — | — | |
| SCHEMBL8000320 | 0.86 | — | — | |
| SCHEMBL3891016 | 0.86 | — | — | |
| SCHEMBL17889761 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL17421810 | 0.83 | — | — | |
| Bromide SCHEMBL2828926 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL2831284 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111989311-B | Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines | 凯复(苏州)生物医药有限公司 | 2022-03-22 | — | — | CN | disclosed |