⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25363583 | 0.74 | — | — | |
| Benzene SCHEMBL1170738 | 0.70 | TDP1 (0.35) | — | |
| SCHEMBL28946004 | 0.66 | CHRM2 (0.33) | — | |
| SCHEMBL753790 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL2895677 | 0.62 | LTA4H (0.31) | — | |
| SCHEMBL877118 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL18343724 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL29154499 | 0.60 | — | — | |
| SCHEMBL28491323 | 0.60 | MEN1 (0.38) | — | |
| SCHEMBL28559530 | 0.58 | HTR6 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108349919-B | Polyfunctional epoxy compound and curable composition containing the same | 日产化学工业株式会社 | 2022-06-03 | — | — | CN | disclosed |
| CN-108350252-B | Epoxy reactive diluent and epoxy resin composition containing same | 日产化学工业株式会社 | 2021-04-09 | — | — | CN | disclosed |