⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1141024 | 0.97 | — | — | |
| SCHEMBL27727267 | 0.95 | — | — | |
| SCHEMBL2826568 | 0.85 | — | — | |
| SCHEMBL2826951 | 0.82 | LMNA (0.30) | — | |
| SCHEMBL21829134 | 0.81 | PPM1B (0.31) | — | |
| SCHEMBL4908956 | 0.79 | PTGS1 (0.31) | — | |
| SCHEMBL188406 | 0.79 | PTGS1 (0.30) | — | |
| SCHEMBL28274874 | 0.79 | — | — | |
| SCHEMBL21295482 | 0.77 | CYP1A2 (0.34) | — | |
| Water SCHEMBL28148184 | 0.75 | CTSL (0.33) | — |
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-108183249-A | One kind is modified phosphonic acid base high temperature proton exchange film and preparation method thereof based on acid-base pair | 武汉理工大学 | 2018-06-19 | — | — | CN | disclosed |