⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL623203 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3633714 | 0.98 | THRB (0.35) | — | |
| SCHEMBL20018526 | 0.84 | — | — | |
| SCHEMBL9524 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL28412850 | 0.82 | — | — | |
| Methane SCHEMBL10699216 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL16570059 | 0.82 | — | — | |
| SCHEMBL9542986 | 0.76 | — | — | |
| SCHEMBL22141994 | 0.74 | — | — | |
| SCHEMBL22142219 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10815218-B2 | Benzoimidazole derivatives as PAD4 inhibitors | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2020-10-27 | — | — | US | disclosed |