⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28836004 | 0.95 | EPHX1 (0.30) | — | |
| SCHEMBL28835996 | 0.93 | EPHX1 (0.33) | — | |
| SCHEMBL28835987 | 0.91 | — | — | |
| SCHEMBL28835973 | 0.81 | EPHX1 (0.32) | — | |
| SCHEMBL8231827 | 0.79 | EPHX1 (0.36) | — | |
| SCHEMBL28835995 | 0.75 | — | — | |
| SCHEMBL28952617 | 0.73 | — | — | |
| SCHEMBL6741301 | 0.73 | SHBG (0.30) | — | |
| SCHEMBL4655180 | 0.71 | EPHX1 (0.42) | — | |
| SCHEMBL8845766 | 0.71 | SHBG (0.43) | — |
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-114989142-A | Preparation method of pyrazole compound | 沈阳万菱生物技术有限公司 | 2022-09-02 | — | — | CN | disclosed |