⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23227942 | 0.91 | CA1 (0.30) | — | |
| SCHEMBL28527 | 0.89 | CA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9085192 | 0.86 | CA1 (0.30) | — | |
| Bromide SCHEMBL4662499 | 0.86 | CA1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL28207127 | 0.86 | CA1 (0.30) | — | |
| SCHEMBL5565770 | 0.86 | CA1 (0.30) | — | |
| Propionitrile SCHEMBL10533131 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL5224204 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL5612394 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL28213438 | 0.78 | ALDH1A1 (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-5091431-A | Hypotensive agents | SCHERING CORPORATION (US) | 1992-02-25 | — | — | US | disclosed |