⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21335553 | 0.72 | — | — | |
| SCHEMBL22032719 | 0.70 | TFPI2 (0.32) | — | |
| SCHEMBL1220092 | 0.70 | TFPI2 (0.32) | — | |
| SCHEMBL22032663 | 0.70 | TFPI2 (0.32) | — | |
| SCHEMBL25235405 | 0.69 | GRM8 (0.40) | — | |
| SCHEMBL26122790 | 0.69 | DPP7 (0.41) | — | |
| SCHEMBL26100296 | 0.69 | GRM8 (0.40) | — | |
| SCHEMBL28995477 | 0.67 | TFPI2 (0.30) | — | |
| SCHEMBL504856 | 0.67 | TFPI2 (0.30) | — | |
| SCHEMBL13918252 | 0.64 | ABAT (0.49) | — |
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-107849015-B | Benzimidazole derivatives as PAD4 inhibitors | 葛兰素知识产权发展有限公司 | 2021-03-19 | — | — | CN | disclosed |