⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7416240 | 1.00 | — | — | |
| SCHEMBL7381465 | 0.86 | METAP1 (0.37) | — | |
| SCHEMBL9575573 | 0.83 | — | — | |
| SCHEMBL9450295 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL9534696 | 0.82 | HDAC3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL10425979 | 0.82 | HDAC3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7364666 | 0.82 | HDAC3 (0.31) | — | |
| SCHEMBL9575859 | 0.81 | — | — | |
| SCHEMBL14267409 | 0.77 | — | — | |
| SCHEMBL8827006 | 0.77 | LTA4H (0.34) | — |
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-5091425-A | Inhibitors of the catalytic action of renin | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-25 | — | — | US | disclosed |