⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10570752 | 0.81 | TP53 (0.35) | — | |
| SCHEMBL1262249 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL25867914 | 0.73 | TP53 (0.40) | — | |
| SCHEMBL1262475 | 0.72 | — | — | |
| SCHEMBL2592558 | 0.70 | TP53 (0.39) | — | |
| SCHEMBL11384568 | 0.69 | FNTA (0.36) | — | |
| SCHEMBL27577730 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL27439186 | 0.68 | TP53 (0.32) | — | |
| SCHEMBL27753878 | 0.68 | CYP2C19 (0.43) | — | |
| SCHEMBL29025814 | 0.68 | TDP1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116334320-B | Aliphatic synthetic tanning agent containing multifunctional groups and preparation method and application thereof | 南京工业大学 | 2024-02-13 | — | — | CN | disclosed |
| CN-116356085-A | Aliphatic synthetic tanning agent containing hexabasic carbonyl and preparation method and application thereof | 南京工业大学 | 2023-06-30 | — | — | CN | disclosed |
| CN-116334320-A | Aliphatic synthetic tanning agent containing multifunctional groups and preparation method and application thereof | 南京工业大学 | 2023-06-27 | — | — | CN | disclosed |