⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7937378 | 0.76 | POLB (0.30) | — | |
| SCHEMBL17474205 | 0.76 | POLB (0.34) | — | |
| SCHEMBL19757633 | 0.74 | NOS1 (0.31) | — | |
| SCHEMBL21141465 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL837055 | 0.70 | — | — | |
| SCHEMBL7939966 | 0.67 | POLB (0.36) | — | |
| SCHEMBL497798 | 0.67 | POLB (0.36) | — | |
| SCHEMBL19757634 | 0.66 | — | — | |
| SCHEMBL2703588 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL6287135 | 0.65 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115449136-A | Accelerator composition of rubber nanocomposite and preparation method and application thereof | 浙江大学 | 2022-12-09 | — | — | CN | claimed |
| CN-111450857-B | Catalyst and preparation process of tert-butyl isothiocyanate | 江苏帕睿尼新材料科技有限公司 | 2023-06-13 | — | — | CN | disclosed |
| CN-115449136-A | Accelerator composition of rubber nanocomposite and preparation method and application thereof | 浙江大学 | 2022-12-09 | — | — | CN | disclosed |
| CN-111450857-A | Catalyst and preparation process of tert-butyl isothiocyanate | 江苏帕睿尼新材料科技有限公司 | 2020-07-28 | — | — | CN | disclosed |