⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5537290 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL28033234 | 0.83 | ESR1 (0.33) | — | |
| SCHEMBL22577725 | 0.82 | HDAC4 (0.30) | — | |
| Benzene SCHEMBL27774129 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL28698800 | 0.80 | — | — | |
| SCHEMBL27876017 | 0.79 | HRH3 (0.31) | — | |
| SCHEMBL27875941 | 0.79 | — | — | |
| SCHEMBL28801247 | 0.74 | THRB (0.39) | — | |
| SCHEMBL28033728 | 0.73 | — | — | |
| SCHEMBL28256536 | 0.71 | CHRM2 (0.32) | — |
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-113583168-A | High-activity copolymer with controllable dispersed sequences of 1,1-diphenylethylene derivatives and styrene and preparation method thereof | 大连理工大学 | 2021-11-02 | — | — | CN | disclosed |