⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4235714 | 0.88 | — | — | |
| SCHEMBL1011508 | 0.79 | — | — | |
| SCHEMBL719096 | 0.79 | ALDH1A1 (0.67) | — | |
| SCHEMBL7537070 | 0.78 | — | — | |
| SCHEMBL16341166 | 0.76 | ALDH1A1 (0.72) | — | |
| SCHEMBL16341718 | 0.76 | ALDH1A1 (0.72) | — | |
| SCHEMBL9323936 | 0.76 | ALDH1A1 (0.72) | — | |
| SCHEMBL719520 | 0.76 | ALDH1A1 (0.72) | — | |
| SCHEMBL715302 | 0.76 | ALDH1A1 (0.72) | — | |
| SCHEMBL1311257 | 0.76 | ALDH1A1 (0.72) | — |
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-107935859-A | A kind of synthetic method of nitro cyclopropane | 西安近代化学研究所 | 2018-04-20 | — | — | CN | disclosed |