⚠ 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 | |
|---|---|---|---|---|
| 2-Mercaptopyrimidine SCHEMBL51787 | 0.93 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL11757055 | 0.93 | HSP90AA1 (0.41) | — | |
| 2-Mercaptopyrimidine SCHEMBL27262920 | 0.90 | HDAC8 (0.35) | — | |
| 2-Mercaptopyrimidine SCHEMBL28382901 | 0.89 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL27696169 | 0.89 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL11204334 | 0.89 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL11573596 | 0.89 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL27668586 | 0.89 | — | — | |
| 2-Mercaptopyrimidine SCHEMBL28848160 | 0.78 | NAPRT (0.53) | — | |
| 2-Mercaptopyrimidine SCHEMBL11813294 | 0.78 | NAPRT (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116042299-A | Antiwear lubricating oil and preparation method thereof | 徐武警 | 2023-05-02 | — | — | CN | claimed |
| CN-116285706-A | Whitening-resistant adhesive for polaroid and preparation method thereof | 江西塔益莱高分子材料有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116042299-A | Antiwear lubricating oil and preparation method thereof | 徐武警 | 2023-05-02 | — | — | CN | disclosed |
| CN-116042299-A | Antiwear lubricating oil and preparation method thereof | 徐武警 | 2023-05-02 | — | — | CN | disclosed |
| CN-112143429-A | Environment-friendly structural adhesive and preparation method thereof | 冯国旭 | 2020-12-29 | — | — | CN | disclosed |