⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9350883 | 0.80 | CDK1 (0.38) | — | |
| SCHEMBL1145333 | 0.76 | — | — | |
| SCHEMBL29071764 | 0.76 | — | — | |
| SCHEMBL9414387 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL22049059 | 0.73 | — | — | |
| SCHEMBL8141452 | 0.72 | — | — | |
| SCHEMBL10881322 | 0.71 | CXCR3 (0.41) | — | |
| SCHEMBL10881315 | 0.71 | CXCR3 (0.41) | — | |
| SCHEMBL10881311 | 0.71 | CXCR3 (0.41) | — | |
| SCHEMBL827064 | 0.71 | — | — |
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-105254622-A | Antipyrine monomer-containing photochromic perfluorocyclopentene compound with aluminum ion identification function and its preparation method and application | UNIV JIANGXI NORMAL SCI & TECH | 2016-01-20 | — | — | CN | disclosed |