⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4278501 | 0.77 | LMNA (0.39) | — | |
| SCHEMBL2725056 | 0.77 | — | — | |
| SCHEMBL26926906 | 0.76 | HCAR2 (0.43) | — | |
| SCHEMBL3230895 | 0.75 | — | — | |
| SCHEMBL1493270 | 0.75 | — | — | |
| SCHEMBL16939222 | 0.72 | STK25 (0.38) | — | |
| SCHEMBL4017380 | 0.72 | GAA (0.45) | — | |
| SCHEMBL3261535 | 0.71 | ALPL (0.54) | — | |
| SCHEMBL17479592 | 0.71 | MAPK1 (0.62) | — | |
| SCHEMBL3262919 | 0.71 | HPGD (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7082251-A | — | — | None | — | — | JP | disclosed |
| US-20210015100-A1 | SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF | SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) | 2021-01-21 | — | — | US | disclosed |
| JP-H0782251-A | PYRAZOLE COMPOUND, PYRAZOLONOXONOL COMPOUND AND PHOTOSENSITIVE MATERIAL OF SILVER HALIDE CONTAINING THE SAME OXONOL COMPOUND | FUJI PHOTO FILM CO LTD | 1995-03-28 | — | — | JP | disclosed |