⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21755166 | 1.00 | PARP1 (1.00) | — | |
| Benzamide SCHEMBL30112947 | 1.00 | PARP1 (1.00) | — | |
| Benzamide SCHEMBL11668921 | 1.00 | PARP1 (1.00) | — | |
| Benzamide SCHEMBL6690447 | 1.00 | PARP1 (1.00) | — | |
| Benzamide SCHEMBL1222101 | 1.00 | PARP1 (1.00) | — | |
| Benzamide SCHEMBL16352 | 1.00 | — | — | |
| Benzamide SCHEMBL27963599 | 1.00 | PARP1 (1.00) | — | |
| Benzamide SCHEMBL1332331 | 1.00 | — | — | |
| Benzamide SCHEMBL8961640 | 0.97 | PARP1 (0.94) | — | |
| Benzamide SCHEMBL3864950 | 0.97 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117820175-A | Synthesis method of o-amino aryl sulfoxide compound | 山东大学 | 2024-04-05 | — | — | CN | disclosed |
| CN-114591194-A | Para-functional arylamine compound and synthesis method thereof | 山东大学 | 2022-06-07 | — | — | CN | disclosed |