⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL933721 | 0.81 | — | — | |
| SCHEMBL301895 | 0.81 | — | — | |
| SCHEMBL7446961 | 0.80 | — | — | |
| SCHEMBL29200235 | 0.80 | GABRP (0.32) | — | |
| SCHEMBL17229183 | 0.80 | — | — | |
| SCHEMBL20639303 | 0.80 | GABRP (0.32) | — | |
| SCHEMBL11457956 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL6524619 | 0.79 | TSHR (0.44) | — | |
| SCHEMBL11455456 | 0.79 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL27728870 | 0.79 | TSHR (0.39) | — |
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-4319987-A | Branched alkyl ether amines as iron ore flotation aids | EXXON RESEARCH & ENGINEERING CO. (US) | 1982-03-16 | — | — | US | disclosed |