⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30533225 | 1.00 | — | — | |
| SCHEMBL27170471 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL27170474 | 0.75 | TYMS (0.44) | — | |
| SCHEMBL27170472 | 0.72 | KMT2A (0.50) | — | |
| SCHEMBL26938832 | 0.69 | CYP2A6 (0.39) | — | |
| SCHEMBL26938846 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL27170473 | 0.68 | CNR1 (0.35) | — | |
| SCHEMBL11934318 | 0.67 | GABRA1 (0.31) | — | |
| SCHEMBL2550921 | 0.66 | — | — | |
| SCHEMBL22444530 | 0.65 | TSHR (0.48) | — |
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-116670586-A | Novel naphthalene dicarboximide sulfonic acid derivative, photoacid generator comprising same, and photoresist composition | 株式会社三养社 | 2023-08-29 | — | — | CN | disclosed |