⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8419080 | 0.97 | SIGMAR1 (0.56) | — | |
| SCHEMBL9948368 | 0.84 | SIGMAR1 (0.45) | — | |
| SCHEMBL7343370 | 0.82 | CYP1A2 (0.50) | — | |
| SCHEMBL9948343 | 0.80 | SIGMAR1 (0.42) | — | |
| SCHEMBL27027263 | 0.79 | CYP19A1 (0.41) | — | |
| SCHEMBL27027262 | 0.79 | CYP19A1 (0.41) | — | |
| SCHEMBL9271489 | 0.78 | SIGMAR1 (0.48) | — | |
| SCHEMBL14452876 | 0.78 | SIGMAR1 (0.48) | — | |
| SCHEMBL30322659 | 0.78 | SIGMAR1 (0.48) | — | |
| SCHEMBL29699898 | 0.78 | SIGMAR1 (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-109678815-B | N-benzyl benzamide derivative and preparation method and pharmaceutical application thereof | 中国药科大学 | 2022-11-29 | — | — | CN | disclosed |