⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17854860 | 0.77 | — | — | |
| SCHEMBL25450490 | 0.77 | — | — | |
| SCHEMBL21553486 | 0.65 | — | — | |
| SCHEMBL17433228 | 0.63 | — | — | |
| SCHEMBL22641335 | 0.63 | — | — | |
| SCHEMBL18176626 | 0.63 | — | — | |
| SCHEMBL22753 | 0.61 | — | — | |
| SCHEMBL22751 | 0.61 | — | — | |
| SCHEMBL14679907 | 0.61 | — | — | |
| SCHEMBL23502575 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021020429-A1 | UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR | 大正製薬株式会社 | 2021-02-04 | — | — | WO | disclosed |